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

Systemtic Name: 2-[1-[(3-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-(m-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-[(3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[3-keto-1-(3-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=C1)C[NH+]2CCNC(=O)C2CC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCNC(=O)C2CC(=O)[O-]

InChI

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