3-(piperazin-4-ium-1-ylmethyl)benzoate

Systemtic Name: 3-(piperazin-4-ium-1-ylmethyl)benzoate Openeye Name: 3-(piperazin-4-ium-1-ylmethyl)benzoate CAS Name: 3-(1-piperazin-4-iumylmethyl)benzoate IUPAC Name: 3-(piperazin-4-ium-1-ylmethyl)benzoate Traditional Name: 3-(piperazin-4-ium-1-ylmethyl)benzoate Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H16N2O2/c15-12(16)11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2,(H,15,16)