2-piperazin-4-ium-1-ylcarbonylbenzoate

Systemtic Name: 2-piperazin-4-ium-1-ylcarbonylbenzoate Openeye Name: 2-(piperazin-4-ium-1-carbonyl)benzoate CAS Name: 2-[oxo(1-piperazin-4-iumyl)methyl]benzoate IUPAC Name: 2-(piperazin-4-ium-1-carbonyl)benzoate Traditional Name: 2-(piperazin-4-ium-1-carbonyl)benzoate Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C12H14N2O3/c15-11(14-7-5-13-6-8-14)9-3-1-2-4-10(9)12(16)17/h1-4,13H,5-8H2,(H,16,17)