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

Systemtic Name: 6,7-dimethoxy-1,3-dimethyl-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-1,3-dimethyl-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium CAS Name: 6,7-dimethoxy-1,3-dimethyl-2-[5-(methylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-1,3-dimethyl-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-1,3-dimethyl-2-[5-(methylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]isoquinolin-2-ium Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=C([N-]3)SC)C)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=C([N-]3)SC)C)OC)OC

InChI

InChI=1S/C16H18N4O2S/c1-9-6-11-7-13(21-3)14(22-4)8-12(11)10(2)20(9)15-17-16(23-5)19-18-15/h6-8H,1-5H3