ethyl (2R)-1,4-bis(phenylmethyl)piperazin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1,4-bis(phenylmethyl)piperazin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1,4-dibenzylpiperazin-1-ium-2-carboxylate CAS Name: (2R)-1,4-bis(phenylmethyl)-2-piperazin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1,4-dibenzylpiperazin-1-ium-2-carboxylate Traditional Name: (2R)-1,4-dibenzylpiperazin-1-ium-2-carboxylic acid ethyl ester Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-2-25-21(24)20-17-22(15-18-9-5-3-6-10-18)13-14-23(20)16-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3/p+1/t20-/m1/s1