1-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(3,4-dimethoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-$b-carboline-3-carboxamide Formula: C27H31N4O4+ MolecularWeight: 475.55944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCCC[NH+]4CCOCC4)C5=CC=CC=C5N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCCC[NH+]4CCOCC4)C5=CC=CC=C5N3)OC

InChI

InChI=1S/C27H30N4O4/c1-33-23-9-8-18(16-24(23)34-2)25-26-20(19-6-3-4-7-21(19)29-26)17-22(30-25)27(32)28-10-5-11-31-12-14-35-15-13-31/h3-4,6-9,16-17,29H,5,10-15H2,1-2H3,(H,28,32)/p+1