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

Systemtic Name: 1-[(1,3-dimethyl-5-methylsulfanyl-imidazol-1-ium-4-yl)methyl]-9H-pyrido[3,4-b]indol-6-ol Openeye Name: 1-[(1,3-dimethyl-5-methylsulfanyl-imidazol-1-ium-4-yl)methyl]-9H-pyrido[3,4-b]indol-6-ol CAS Name: 1-[[1,3-dimethyl-5-(methylthio)-4-imidazol-1-iumyl]methyl]-9H-pyrido[3,4-b]indol-6-ol IUPAC Name: 1-[(1,3-dimethyl-5-methylsulfanylimidazol-1-ium-4-yl)methyl]-9H-pyrido[3,4-b]indol-6-ol Traditional Name: 1-[[1,3-dimethyl-5-(methylthio)imidazol-1-ium-4-yl]methyl]-9H-$b-carbolin-6-ol Formula: C18H19N4OS+ MolecularWeight: 339.43466

Click to see the large picture

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)/p+1