methyl 6-[4-(3-chlorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 6-[4-(3-chlorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 6-[4-(3-chlorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(3-chlorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Traditional Name: 6-[4-(3-chlorophenyl)piperazino]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C17H19ClN3O2+ MolecularWeight: 332.80466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2/c1-23-17(22)13-5-6-16(19-12-13)21-9-7-20(8-10-21)15-4-2-3-14(18)11-15/h2-6,11-12H,7-10H2,1H3/p+1