2-[1-[(2-chlorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[1-[(2-chlorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-[(2-chlorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(2-chlorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(2-chlorobenzyl)-3-keto-piperazin-1-ium-2-yl]acetate Formula: C13H15ClN2O3 MolecularWeight: 282.7228

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=CC=CC=C2Cl

Isomeric SMILES

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=CC=CC=C2Cl

InChI

InChI=1S/C13H15ClN2O3/c14-10-4-2-1-3-9(10)8-16-6-5-15-13(19)11(16)7-12(17)18/h1-4,11H,5-8H2,(H,15,19)(H,17,18)