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

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[3-[(2R)-2-methyl-1-piperidin-1-iumyl]propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]cinchoninamide Formula: C27H34N3O+ MolecularWeight: 416.57836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C27H33N3O/c1-19-12-13-22(17-20(19)2)26-18-24(23-10-4-5-11-25(23)29-26)27(31)28-14-8-16-30-15-7-6-9-21(30)3/h4-5,10-13,17-18,21H,6-9,14-16H2,1-3H3,(H,28,31)/p+1/t21-/m1/s1