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

Systemtic Name: 1-(1,3-dimethyl-5-methylsulfanyl-imidazol-1-ium-4-yl)carbonyl-9H-pyrido[3,4-b]indol-6-olate Openeye Name: 1-(1,3-dimethyl-5-methylsulfanyl-imidazol-1-ium-4-carbonyl)-9H-pyrido[3,4-b]indol-6-olate CAS Name: 1-[[1,3-dimethyl-5-(methylthio)-4-imidazol-1-iumyl]-oxomethyl]-9H-pyrido[3,4-b]indol-6-olate IUPAC Name: 1-(1,3-dimethyl-5-methylsulfanylimidazol-1-ium-4-carbonyl)-9H-pyrido[3,4-b]indol-6-olate Traditional Name: 1-[1,3-dimethyl-5-(methylthio)imidazol-1-ium-4-carbonyl]-9H-$b-carbolin-6-olate Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C(=C1C(=O)C2=NC=CC3=C2NC4=C3C=C(C=C4)[O-])SC)C

Isomeric SMILES

CN1C=[N+](C(=C1C(=O)C2=NC=CC3=C2NC4=C3C=C(C=C4)[O-])SC)C

InChI

InChI=1S/C18H16N4O2S/c1-21-9-22(2)18(25-3)16(21)17(24)15-14-11(6-7-19-15)12-8-10(23)4-5-13(12)20-14/h4-9H,1-3H3,(H-,19,20,23,24)