ethyl 6-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-chloro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-4-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate Traditional Name: 6-chloro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C17H22ClN3O2+2 MolecularWeight: 335.82848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1N3CC[NH+](CC3)C)Cl

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1N3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C17H20ClN3O2/c1-3-23-17(22)14-11-19-15-5-4-12(18)10-13(15)16(14)21-8-6-20(2)7-9-21/h4-5,10-11H,3,6-9H2,1-2H3/p+2