3-piperazin-4-ium-1-ylcarbonylbenzoate

Systemtic Name: 3-piperazin-4-ium-1-ylcarbonylbenzoate Openeye Name: 3-(piperazin-4-ium-1-carbonyl)benzoate CAS Name: 3-[oxo(1-piperazin-4-iumyl)methyl]benzoate IUPAC Name: 3-(piperazin-4-ium-1-carbonyl)benzoate Traditional Name: 3-(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=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

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