6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-3-methyl-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1-(p-tolyl)isoquinolin-2-ium CAS Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-[5-(methylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-3-methyl-2-[5-(methylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-1-(p-tolyl)isoquinolin-2-ium Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(=CC3=CC(=C(C=C32)OC)OC)C)C4=NN=C([N-]4)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(=CC3=CC(=C(C=C32)OC)OC)C)C4=NN=C([N-]4)SC

InChI

InChI=1S/C22H22N4O2S/c1-13-6-8-15(9-7-13)20-17-12-19(28-4)18(27-3)11-16(17)10-14(2)26(20)21-23-22(29-5)25-24-21/h6-12H,1-5H3