[3-[2-[2-[[1-[(E)-2-[[3-methoxy-4-[[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethanoyl]diazenyl]phenyl]amino]-2-oxidanyl-ethenyl]pyridin-1-ium-3-yl]methoxyamino]ethylsulfanyl]ethylcarbamoyl]pyridin-1-ium-1-yl]methyl N-[3-methoxy-4-[2-[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethanoyl]hydrazinyl]phenyl]methanimidate

Systemtic Name: [3-[2-[2-[[1-[(E)-2-[[3-methoxy-4-[[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethanoyl]diazenyl]phenyl]amino]-2-oxidanyl-ethenyl]pyridin-1-ium-3-yl]methoxyamino]ethylsulfanyl]ethylcarbamoyl]pyridin-1-ium-1-yl]methyl N-[3-methoxy-4-[2-[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethanoyl]hydrazinyl]phenyl]methanimidate Openeye Name: [3-[2-[2-[[1-[(E)-2-hydroxy-2-[3-methoxy-4-[2-(3-morpholinopropylamino)-2-oxo-acetyl]azo-anilino]vinyl]pyridin-1-ium-3-yl]methoxyamino]ethylsulfanyl]ethylcarbamoyl]pyridin-1-ium-1-yl]methyl N-[3-methoxy-4-[2-[2-(3-morpholinopropylamino)-2-oxo-acetyl]hydrazino]phenyl]methanimidate CAS Name: N-[3-methoxy-4-[[2-[3-(4-morpholinyl)propylamino]-1,2-dioxoethyl]hydrazo]phenyl]methanimidic acid [3-[[2-[2-[[1-[(E)-2-hydroxy-2-[3-methoxy-4-[2-[3-(4-morpholinyl)propylamino]-1,2-dioxoethyl]azoanilino]ethenyl]-3-pyridin-1-iumyl]methoxyamino]ethylthio]ethylamino]-oxomethyl]-1-pyridin-1-iumyl]methyl ester IUPAC Name: [3-[2-[2-[[1-[(E)-2-hydroxy-2-[3-methoxy-4-[[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]diazenyl]anilino]ethenyl]pyridin-1-ium-3-yl]methoxyamino]ethylsulfanyl]ethylcarbamoyl]pyridin-1-ium-1-yl]methyl N-[3-methoxy-4-[2-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]hydrazinyl]phenyl]methanimidate Traditional Name: N-[4-[N'-[2-keto-2-(3-morpholinopropylamino)acetyl]hydrazino]-3-methoxy-phenyl]formimidic acid [3-[2-[2-[[1-[(E)-2-hydroxy-2-[4-[2-keto-2-(3-morpholinopropylamino)acetyl]azo-3-methoxy-anilino]vinyl]pyridin-1-ium-3-yl]methoxyamino]ethylthio]ethylcarbamoyl]pyridin-1-ium-1-yl]methyl ester Formula: C52H70N14O12S+2 MolecularWeight: 1115.2638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=C[N+]2=CC=CC(=C2)CONCCSCCNC(=O)C3=C[N+](=CC=C3)COC=NC4=CC(=C(C=C4)NNC(=O)C(=O)NCCCN5CCOCC5)OC)O)N=NC(=O)C(=O)NCCCN6CCOCC6

Isomeric SMILES

COC1=C(C=CC(=C1)N/C(=C\[N+]2=CC=CC(=C2)CONCCSCCNC(=O)C3=C[N+](=CC=C3)COC=NC4=CC(=C(C=C4)NNC(=O)C(=O)NCCCN5CCOCC5)OC)/O)N=NC(=O)C(=O)NCCCN6CCOCC6

InChI

InChI=1S/C52H68N14O12S/c1-73-45-31-41(9-11-43(45)59-61-51(71)49(69)53-13-5-19-63-21-25-75-26-22-63)56-37-77-38-66-18-4-8-40(34-66)48(68)55-15-29-79-30-16-57-78-36-39-7-3-17-65(33-39)35-47(67)58-42-10-12-44(46(32-42)74-2)60-62-52(72)50(70)54-14-6-20-64-23-27-76-28-24-64/h3-4,7-12,17-18,31-35,37,57H,5-6,13-16,19-30,36,38H2,1-2H3,(H5-2,53,54,55,58,59,60,61,62,67,68,69,70,71,72)/p+2/b47-35+,56-37?