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

Systemtic Name: 1-(3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(3-methoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-$b-carboline-3-carboxamide Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/c1-32-19-7-4-6-18(16-19)24-25-21(20-8-2-3-9-22(20)28-25)17-23(29-24)26(31)27-10-5-11-30-12-14-33-15-13-30/h2-4,6-9,16-17,28H,5,10-15H2,1H3,(H,27,31)/p+1