1-[(1,3-dimethyl-5-methylsulfanyl-imidazol-1-ium-4-yl)methyl]-9H-pyrido[3,4-b]indol-6-olate

Systemtic Name: 1-[(1,3-dimethyl-5-methylsulfanyl-imidazol-1-ium-4-yl)methyl]-9H-pyrido[3,4-b]indol-6-olate Openeye Name: 1-[(1,3-dimethyl-5-methylsulfanyl-imidazol-1-ium-4-yl)methyl]-9H-pyrido[3,4-b]indol-6-olate CAS Name: 1-[[1,3-dimethyl-5-(methylthio)-4-imidazol-1-iumyl]methyl]-9H-pyrido[3,4-b]indol-6-olate IUPAC Name: 1-[(1,3-dimethyl-5-methylsulfanylimidazol-1-ium-4-yl)methyl]-9H-pyrido[3,4-b]indol-6-olate Traditional Name: 1-[[1,3-dimethyl-5-(methylthio)imidazol-1-ium-4-yl]methyl]-9H-$b-carbolin-6-olate Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C(=C1CC2=NC=CC3=C2NC4=C3C=C(C=C4)[O-])SC)C

Isomeric SMILES

CN1C=[N+](C(=C1CC2=NC=CC3=C2NC4=C3C=C(C=C4)[O-])SC)C

InChI

InChI=1S/C18H18N4OS/c1-21-10-22(2)18(24-3)16(21)9-15-17-12(6-7-19-15)13-8-11(23)4-5-14(13)20-17/h4-8,10H,9H2,1-3H3,(H-,19,20,23)