1-[(1,3-dimethyl-5-methylsulfanyl-imidazol-1-ium-4-yl)methyl]-6-oxidanyl-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 1-[(1,3-dimethyl-5-methylsulfanyl-imidazol-1-ium-4-yl)methyl]-6-oxidanyl-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-[(1,3-dimethyl-5-methylsulfanyl-imidazol-1-ium-4-yl)methyl]-6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-[[1,3-dimethyl-5-(methylthio)-4-imidazol-1-iumyl]methyl]-6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-[(1,3-dimethyl-5-methylsulfanylimidazol-1-ium-4-yl)methyl]-6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-[[1,3-dimethyl-5-(methylthio)imidazol-1-ium-4-yl]methyl]-6-hydroxy-9H-$b-carboline-3-carboxylic acid Formula: C19H19N4O3S+ MolecularWeight: 383.44416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C(=C1CC2=C3C(=CC(=N2)C(=O)O)C4=C(N3)C=CC(=C4)O)SC)C

Isomeric SMILES

CN1C=[N+](C(=C1CC2=C3C(=CC(=N2)C(=O)O)C4=C(N3)C=CC(=C4)O)SC)C

InChI

InChI=1S/C19H18N4O3S/c1-22-9-23(2)18(27-3)16(22)8-14-17-12(7-15(20-14)19(25)26)11-6-10(24)4-5-13(11)21-17/h4-7,9H,8H2,1-3H3,(H2-,20,21,24,25,26)/p+1