2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoate

Systemtic Name: 2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoate Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)acetate CAS Name: 2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetate IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)acetate Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)acetate Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C13H18N2O2/c16-13(17)11-15-8-6-14(7-9-15)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)/p+1