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

Systemtic Name: (1,3-dimethyl-5-methylsulfanyl-imidazol-1-ium-4-yl)-(6-oxidanyl-9H-pyrido[3,4-b]indol-1-yl)methanone Openeye Name: (1,3-dimethyl-5-methylsulfanyl-imidazol-1-ium-4-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone CAS Name: [1,3-dimethyl-5-(methylthio)-4-imidazol-1-iumyl]-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone IUPAC Name: (1,3-dimethyl-5-methylsulfanylimidazol-1-ium-4-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone Traditional Name: [1,3-dimethyl-5-(methylthio)imidazol-1-ium-4-yl]-(6-hydroxy-9H-$b-carbolin-1-yl)methanone Formula: C18H17N4O2S+ MolecularWeight: 353.41818

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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)/p+1