2-(3,4-dimethylphenyl)-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[2-(2-methyl-1-piperidin-1-iumyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]cinchoninamide Formula: C26H32N3O+ MolecularWeight: 402.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1CCCC[NH+]1CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C26H31N3O/c1-18-11-12-21(16-19(18)2)25-17-23(22-9-4-5-10-24(22)28-25)26(30)27-13-15-29-14-7-6-8-20(29)3/h4-5,9-12,16-17,20H,6-8,13-15H2,1-3H3,(H,27,30)/p+1