2-(2,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)cinchoninamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4CC[NH+](CC4)C)C

InChI

InChI=1S/C23H26N4O/c1-16-8-9-18(17(2)14-16)22-15-20(19-6-4-5-7-21(19)24-22)23(28)25-27-12-10-26(3)11-13-27/h4-9,14-15H,10-13H2,1-3H3,(H,25,28)/p+1