(phenylmethyl) piperazin-4-ium-1-carboxylate

Systemtic Name: (phenylmethyl) piperazin-4-ium-1-carboxylate Openeye Name: benzyl piperazin-4-ium-1-carboxylate CAS Name: 1-piperazin-4-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl piperazin-4-ium-1-carboxylate Traditional Name: piperazin-4-ium-1-carboxylic acid benzyl ester Formula: C12H17N2O2+ MolecularWeight: 221.27558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2/p+1