1-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-$b-carboline-3-carboxamide Formula: C26H27N4O4+ MolecularWeight: 459.51698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H26N4O4/c31-26(27-8-3-9-30-10-12-32-13-11-30)21-15-19-18-4-1-2-5-20(18)28-25(19)24(29-21)17-6-7-22-23(14-17)34-16-33-22/h1-2,4-7,14-15,28H,3,8-13,16H2,(H,27,31)/p+1