2-[(2,4-dimethylphenyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-[(2,4-dimethylphenyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)quinoline-4-carboxamide CAS Name: 2-(2,4-dimethylanilino)-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dimethylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-(2,4-dimethylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)cinchoninamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCCC4)C

InChI

InChI=1S/C25H30N4O/c1-18-10-11-22(19(2)16-18)27-24-17-21(20-8-3-4-9-23(20)28-24)25(30)26-12-7-15-29-13-5-6-14-29/h3-4,8-11,16-17H,5-7,12-15H2,1-2H3,(H,26,30)(H,27,28)/p+1