2-[methyl-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]azaniumyl]ethanoate

Systemtic Name: 2-[methyl-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]azaniumyl]ethanoate Openeye Name: 2-[methyl-[2-oxo-2-(p-tolyl)ethyl]ammonio]acetate CAS Name: 2-[methyl-[2-(4-methylphenyl)-2-oxoethyl]ammonio]acetate IUPAC Name: 2-[methyl-[2-(4-methylphenyl)-2-oxoethyl]azaniumyl]acetate Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]-methyl-ammonio]acetate Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-9-3-5-10(6-4-9)11(14)7-13(2)8-12(15)16/h3-6H,7-8H2,1-2H3,(H,15,16)