3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzoate

Systemtic Name: 3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzoate Openeye Name: 3-[(3-oxopiperazin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[(3-oxo-1-piperazin-1-iumyl)methyl]benzoate IUPAC Name: 3-[(3-oxopiperazin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(3-ketopiperazin-1-ium-1-yl)methyl]benzoate Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H14N2O3/c15-11-8-14(5-4-13-11)7-9-2-1-3-10(6-9)12(16)17/h1-3,6H,4-5,7-8H2,(H,13,15)(H,16,17)