(phenylmethyl) 2-oxidanylidenepiperazin-4-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 2-oxidanylidenepiperazin-4-ium-1-carboxylate Openeye Name: benzyl 2-oxopiperazin-4-ium-1-carboxylate CAS Name: 2-oxo-1-piperazin-4-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-oxopiperazin-4-ium-1-carboxylate Traditional Name: 2-ketopiperazin-4-ium-1-carboxylic acid benzyl ester Formula: C12H15N2O3+ MolecularWeight: 235.2591

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C[NH2+]1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(C(=O)C[NH2+]1)C(=O)OCC2=CC=CC=C2

InChI

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