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

Systemtic Name: 6-bromanyl-2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-ethylphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-ethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)cinchoninamide Formula: C23H26BrN4O+ MolecularWeight: 454.38274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NN4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NN4CC[NH+](CC4)C

InChI

InChI=1S/C23H25BrN4O/c1-3-16-4-6-17(7-5-16)22-15-20(19-14-18(24)8-9-21(19)25-22)23(29)26-28-12-10-27(2)11-13-28/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,29)/p+1