1-[2-[[2-methyl-4-[2-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)hydrazinyl]phenyl]amino]-2-oxidanylidene-ethyl]-N-[2-[2-[[1-[2-[[2-methyl-4-[2-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)hydrazinyl]phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-yl]methoxyamino]ethylsulfanyl]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[[2-methyl-4-[2-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)hydrazinyl]phenyl]amino]-2-oxidanylidene-ethyl]-N-[2-[2-[[1-[2-[[2-methyl-4-[2-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)hydrazinyl]phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-yl]methoxyamino]ethylsulfanyl]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[2-methyl-4-[2-(2-morpholino-2-oxo-acetyl)hydrazino]anilino]-2-oxo-ethyl]-N-[2-[2-[[1-[2-[2-methyl-4-[2-(2-morpholino-2-oxo-acetyl)hydrazino]anilino]-2-oxo-ethyl]pyridin-1-ium-3-yl]methoxyamino]ethylsulfanyl]ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[2-methyl-4-[[2-(4-morpholinyl)-1,2-dioxoethyl]hydrazo]anilino]-2-oxoethyl]-N-[2-[2-[[1-[2-[2-methyl-4-[[2-(4-morpholinyl)-1,2-dioxoethyl]hydrazo]anilino]-2-oxoethyl]-3-pyridin-1-iumyl]methoxyamino]ethylthio]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[2-methyl-4-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]anilino]-2-oxoethyl]-N-[2-[2-[[1-[2-[2-methyl-4-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]anilino]-2-oxoethyl]pyridin-1-ium-3-yl]methoxyamino]ethylsulfanyl]ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-[4-[N'-(2-keto-2-morpholino-acetyl)hydrazino]-2-methyl-anilino]ethyl]-N-[2-[2-[[1-[2-keto-2-[4-[N'-(2-keto-2-morpholino-acetyl)hydrazino]-2-methyl-anilino]ethyl]pyridin-1-ium-3-yl]methoxyamino]ethylthio]ethyl]pyridin-1-ium-3-carboxamide Formula: C46H58N12O10S+2 MolecularWeight: 971.09212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NNC(=O)C(=O)N2CCOCC2)NC(=O)C[N+]3=CC=CC(=C3)CONCCSCCNC(=O)C4=C[N+](=CC=C4)CC(=O)NC5=C(C=C(C=C5)NNC(=O)C(=O)N6CCOCC6)C

Isomeric SMILES

CC1=C(C=CC(=C1)NNC(=O)C(=O)N2CCOCC2)NC(=O)C[N+]3=CC=CC(=C3)CONCCSCCNC(=O)C4=C[N+](=CC=C4)CC(=O)NC5=C(C=C(C=C5)NNC(=O)C(=O)N6CCOCC6)C

InChI

InChI=1S/C46H56N12O10S/c1-32-25-36(51-53-43(62)45(64)57-15-19-66-20-16-57)7-9-38(32)49-40(59)29-55-13-3-5-34(27-55)31-68-48-12-24-69-23-11-47-42(61)35-6-4-14-56(28-35)30-41(60)50-39-10-8-37(26-33(39)2)52-54-44(63)46(65)58-17-21-67-22-18-58/h3-10,13-14,25-28,48H,11-12,15-24,29-31H2,1-2H3,(H5-2,47,49,50,51,52,53,54,59,60,61,62,63,64,65)/p+2