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

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[3-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]cinchoninamide Formula: C31H42N4O+2 MolecularWeight: 486.69138

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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+]4CCC(CC4)[NH+]5CCCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCC(CC4)[NH+]5CCCCC5)C

InChI

InChI=1S/C31H40N4O/c1-23-11-12-25(21-24(23)2)30-22-28(27-9-4-5-10-29(27)33-30)31(36)32-15-8-16-34-19-13-26(14-20-34)35-17-6-3-7-18-35/h4-5,9-12,21-22,26H,3,6-8,13-20H2,1-2H3,(H,32,36)/p+2