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

Systemtic Name: 2-(3,4-dimethylphenyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)cinchoninamide Formula: C25H30N3O+ MolecularWeight: 388.5252

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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+]4CCCC4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O/c1-18-10-11-20(16-19(18)2)24-17-22(21-8-3-4-9-23(21)27-24)25(29)26-12-7-15-28-13-5-6-14-28/h3-4,8-11,16-17H,5-7,12-15H2,1-2H3,(H,26,29)/p+1