propan-2-yl 2-[4-(3-chlorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate

Systemtic Name: propan-2-yl 2-[4-(3-chlorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Openeye Name: isopropyl 2-[4-(3-chlorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridin-1-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[4-(3-chlorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Traditional Name: 2-[4-(3-chlorophenyl)piperazino]pyridin-1-ium-3-carboxylic acid isopropyl ester Formula: C19H23ClN3O2+ MolecularWeight: 360.85782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O2/c1-14(2)25-19(24)17-7-4-8-21-18(17)23-11-9-22(10-12-23)16-6-3-5-15(20)13-16/h3-8,13-14H,9-12H2,1-2H3/p+1