6-bromanyl-2-(3,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(3,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-(3,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(3,4-dimethylphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(3,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-(3,4-dimethylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)cinchoninamide Formula: C23H26BrN4O+ MolecularWeight: 454.38274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NN4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NN4CC[NH+](CC4)C)C

InChI

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