8-chloranyl-2-(3-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide

Systemtic Name: 8-chloranyl-2-(3-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Openeye Name: 8-chloro-2-(3-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide CAS Name: 8-chloro-2-(3-chlorophenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-quinolinecarboxamide IUPAC Name: 8-chloro-2-(3-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Traditional Name: 8-chloro-2-(3-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=CC=C3Cl)C4=CC(=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC(=CC=C4)Cl

InChI

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