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

Systemtic Name: 2-[[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]-methyl-azaniumyl]ethanoate Openeye Name: 2-[[2-(4-ethylphenyl)-2-oxo-ethyl]-methyl-ammonio]acetate CAS Name: 2-[[2-(4-ethylphenyl)-2-oxoethyl]-methylammonio]acetate IUPAC Name: 2-[[2-(4-ethylphenyl)-2-oxoethyl]-methylazaniumyl]acetate Traditional Name: 2-[[2-(4-ethylphenyl)-2-keto-ethyl]-methyl-ammonio]acetate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C[NH+](C)CC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C[NH+](C)CC(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-3-10-4-6-11(7-5-10)12(15)8-14(2)9-13(16)17/h4-7H,3,8-9H2,1-2H3,(H,16,17)