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

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)acetate CAS Name: 2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)acetate Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)