[6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [6-chloro-7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C21H29ClN2O6+2 MolecularWeight: 440.91776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CCC[NH+]3CCOCC3)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CCC[NH+]3CCOCC3)CC(=O)OC

InChI

InChI=1S/C21H27ClN2O6/c1-13-14-10-17(22)19(26)16(12-23-4-3-5-24-6-8-29-9-7-24)20(14)30-21(27)15(13)11-18(25)28-2/h10,23,26H,3-9,11-12H2,1-2H3/p+2