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

Systemtic Name: 3-methyl-2-(4-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Openeye Name: 3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 3-methyl-2-(4-methylphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-quinolinecarboxamide IUPAC Name: 3-methyl-2-(4-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Traditional Name: 3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)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(=C2C)C(=O)NN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NN4CC[NH+](CC4)C

InChI

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