6-chloranyl-2-(2-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-2-(2-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Openeye Name: 6-chloro-2-(2-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide CAS Name: 6-chloro-2-(2-chlorophenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-2-(2-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Traditional Name: 6-chloro-2-(2-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)cinchoninamide Formula: C21H21Cl2N4O+ MolecularWeight: 416.32364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H20Cl2N4O/c1-26-8-10-27(11-9-26)25-21(28)17-13-20(15-4-2-3-5-18(15)23)24-19-7-6-14(22)12-16(17)19/h2-7,12-13H,8-11H2,1H3,(H,25,28)/p+1