1-(2-ethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: 1-(2-ethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(2-ethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(2-ethoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(2-ethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-o-phenetyl-9H-$b-carboline-3-carboxamide Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)NCCC[NH+]4CCOCC4)C5=CC=CC=C5N3

Isomeric SMILES

CCOC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)NCCC[NH+]4CCOCC4)C5=CC=CC=C5N3

InChI

InChI=1S/C27H30N4O3/c1-2-34-24-11-6-4-9-20(24)25-26-21(19-8-3-5-10-22(19)29-26)18-23(30-25)27(32)28-12-7-13-31-14-16-33-17-15-31/h3-6,8-11,18,29H,2,7,12-17H2,1H3,(H,28,32)/p+1