(2R)-2-phenyl-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-phenyl-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(4-benzylpiperazin-1-ium-1-yl)-2-phenyl-acetate CAS Name: (2R)-2-phenyl-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(4-benzylpiperazin-1-ium-1-yl)-2-phenylacetate Traditional Name: (2R)-2-(4-benzylpiperazin-1-ium-1-yl)-2-phenyl-acetate Formula: C19H22N2O2 MolecularWeight: 310.39018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O2/c22-19(23)18(17-9-5-2-6-10-17)21-13-11-20(12-14-21)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,23)/t18-/m1/s1