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

Systemtic Name: 2-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: 2-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]acetate IUPAC Name: 2-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]acetate Formula: C15H21N3O3 MolecularWeight: 291.34554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C15H21N3O3/c19-14(16-10-15(20)21)12-18-8-6-17(7-9-18)11-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,19)(H,20,21)