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

Systemtic Name: 1-(3-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(3-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(3-bromophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(3-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(3-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-$b-carboline-3-carboxamide Formula: C25H26BrN4O2+ MolecularWeight: 494.40354

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC(=CC=C5)Br

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC(=CC=C5)Br

InChI

InChI=1S/C25H25BrN4O2/c26-18-6-3-5-17(15-18)23-24-20(19-7-1-2-8-21(19)28-24)16-22(29-23)25(31)27-9-4-10-30-11-13-32-14-12-30/h1-3,5-8,15-16,28H,4,9-14H2,(H,27,31)/p+1