2,2-dimethyl-3-[methyl-(phenylmethyl)azaniumyl]propanoate

Systemtic Name: 2,2-dimethyl-3-[methyl-(phenylmethyl)azaniumyl]propanoate Openeye Name: 3-[benzyl(methyl)ammonio]-2,2-dimethyl-propanoate CAS Name: 2,2-dimethyl-3-[methyl-(phenylmethyl)ammonio]propanoate IUPAC Name: 3-[benzyl(methyl)azaniumyl]-2,2-dimethylpropanoate Traditional Name: 3-[benzyl(methyl)ammonio]-2,2-dimethyl-propionate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-13(2,12(15)16)10-14(3)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,16)