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

Systemtic Name: 3-[ethyl-(phenylmethyl)azaniumyl]-2,2-dimethyl-propanoate Openeye Name: 3-[benzyl(ethyl)ammonio]-2,2-dimethyl-propanoate CAS Name: 3-[ethyl-(phenylmethyl)ammonio]-2,2-dimethylpropanoate IUPAC Name: 3-[benzyl(ethyl)azaniumyl]-2,2-dimethylpropanoate Traditional Name: 3-[benzyl(ethyl)ammonio]-2,2-dimethyl-propionate Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-4-15(11-14(2,3)13(16)17)10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,17)