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

Systemtic Name: 2-(3,4-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)cinchoninamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4)C

InChI

InChI=1S/C25H29N3O2/c1-18-8-9-20(16-19(18)2)24-17-22(21-6-3-4-7-23(21)27-24)25(29)26-10-5-11-28-12-14-30-15-13-28/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,26,29)/p+1