ethyl 7,8-bis(chloranyl)-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate chloride

Systemtic Name: ethyl 7,8-bis(chloranyl)-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate chloride Openeye Name: ethyl 7,8-dichloro-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate chloride CAS Name: 7,8-dichloro-4-(4-methyl-1-piperazin-4-iumyl)-3-quinolinecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 7,8-dichloro-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate chloride Traditional Name: 7,8-dichloro-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylic acid ethyl ester chloride Formula: C17H20Cl3N3O2 MolecularWeight: 404.7186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N3CC[NH+](CC3)C)C=CC(=C2Cl)Cl.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N3CC[NH+](CC3)C)C=CC(=C2Cl)Cl.[Cl-]

InChI

InChI=1S/C17H19Cl2N3O2.ClH/c1-3-24-17(23)12-10-20-15-11(4-5-13(18)14(15)19)16(12)22-8-6-21(2)7-9-22;/h4-5,10H,3,6-9H2,1-2H3;1H