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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4CC[NH+](CC4)C

InChI

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