2-[(3,4-dimethylphenyl)amino]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]quinoline-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)C)C

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)C)C

InChI

InChI=1S/C25H30N4O/c1-4-29-13-7-8-20(29)16-26-25(30)22-15-24(28-23-10-6-5-9-21(22)23)27-19-12-11-17(2)18(3)14-19/h5-6,9-12,14-15,20H,4,7-8,13,16H2,1-3H3,(H,26,30)(H,27,28)/p+1