2-[(3,5-dimethyl-2-oxidanyl-phenyl)methyl-methyl-azaniumyl]ethanoate

Systemtic Name: 2-[(3,5-dimethyl-2-oxidanyl-phenyl)methyl-methyl-azaniumyl]ethanoate Openeye Name: 2-[(2-hydroxy-3,5-dimethyl-phenyl)methyl-methyl-ammonio]acetate CAS Name: 2-[(2-hydroxy-3,5-dimethylphenyl)methyl-methylammonio]acetate IUPAC Name: 2-[(2-hydroxy-3,5-dimethylphenyl)methyl-methylazaniumyl]acetate Traditional Name: 2-[(2-hydroxy-3,5-dimethyl-benzyl)-methyl-ammonio]acetate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-8-4-9(2)12(16)10(5-8)6-13(3)7-11(14)15/h4-5,16H,6-7H2,1-3H3,(H,14,15)