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

Systemtic Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]acetate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)[O-]

InChI

InChI=1S/C14H18N2O3/c1-10-4-2-3-5-11(10)9-16-7-6-15-14(19)12(16)8-13(17)18/h2-5,12H,6-9H2,1H3,(H,15,19)(H,17,18)/t12-/m1/s1