(4-methylpiperazin-4-ium-1-yl)-[2-[2,3,4-tris(chloranyl)phenyl]quinolin-4-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[2-[2,3,4-tris(chloranyl)phenyl]quinolin-4-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[2-(2,3,4-trichlorophenyl)-4-quinolyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[2-(2,3,4-trichlorophenyl)-4-quinolinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[2-(2,3,4-trichlorophenyl)quinolin-4-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[2-(2,3,4-trichlorophenyl)-4-quinolyl]methanone Formula: C21H19Cl3N3O+ MolecularWeight: 435.75406

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C(=C(C=C4)Cl)Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C(=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C21H18Cl3N3O/c1-26-8-10-27(11-9-26)21(28)15-12-18(25-17-5-3-2-4-13(15)17)14-6-7-16(22)20(24)19(14)23/h2-7,12H,8-11H2,1H3/p+1