(3S)-3-azaniumyl-3-(4-propan-2-ylphenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(4-propan-2-ylphenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(4-isopropylphenyl)propanoate CAS Name: (3S)-3-ammonio-3-(4-propan-2-ylphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(4-propan-2-ylphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-p-cumenyl-propionate Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C12H17NO2/c1-8(2)9-3-5-10(6-4-9)11(13)7-12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H,14,15)/t11-/m0/s1