methyl 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H25ClN3O2+ MolecularWeight: 410.9165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)OC

InChI

InChI=1S/C23H24ClN3O2/c1-16-19-8-3-4-9-20(19)25-21(22(16)23(28)29-2)15-26-10-12-27(13-11-26)18-7-5-6-17(24)14-18/h3-9,14H,10-13,15H2,1-2H3/p+1