N-[3-(1H-imidazol-3-ium-3-yl)propyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-1-(p-tolyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-1-(p-tolyl)-9H-$b-carboline-3-carboxamide Formula: C25H24N5O+ MolecularWeight: 410.49096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCCC[N+]4=CNC=C4)C5=CC=CC=C5N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCCC[N+]4=CNC=C4)C5=CC=CC=C5N3

InChI

InChI=1S/C25H23N5O/c1-17-7-9-18(10-8-17)23-24-20(19-5-2-3-6-21(19)28-24)15-22(29-23)25(31)27-11-4-13-30-14-12-26-16-30/h2-3,5-10,12,14-16H,4,11,13H2,1H3,(H2,27,28,29,31)/p+1