2-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)cinchoninamide Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4)OC

InChI

InChI=1S/C25H29N3O4/c1-30-23-9-8-18(16-24(23)31-2)22-17-20(19-6-3-4-7-21(19)27-22)25(29)26-10-5-11-28-12-14-32-15-13-28/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,26,29)/p+1