methyl 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C13H18ClN2O2+ MolecularWeight: 269.74722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H17ClN2O2/c1-18-13(17)10-15-6-8-16(9-7-15)12-5-3-2-4-11(12)14/h2-5H,6-10H2,1H3/p+1