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

Systemtic Name: 2-(4-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 2-(4-methylphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)cinchoninamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O/c1-16-7-9-17(10-8-16)21-15-19(18-5-3-4-6-20(18)23-21)22(27)24-26-13-11-25(2)12-14-26/h3-10,15H,11-14H2,1-2H3,(H,24,27)/p+1