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

Systemtic Name: methyl 3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propionic acid methyl ester Formula: C14H20ClN2O2+ MolecularWeight: 283.7738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O2/c1-19-14(18)6-7-16-8-10-17(11-9-16)13-5-3-2-4-12(13)15/h2-5H,6-11H2,1H3/p+1