2-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 1-keto-2-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)isoquinoline-4-carboxamide Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O4/c1-30-19-9-7-18(8-10-19)27-17-22(20-5-2-3-6-21(20)24(27)29)23(28)25-11-4-12-26-13-15-31-16-14-26/h2-3,5-10,17H,4,11-16H2,1H3,(H,25,28)/p+1