(2S)-2-[(4-tert-butylphenyl)methyl-methyl-azaniumyl]propanoate

Systemtic Name: (2S)-2-[(4-tert-butylphenyl)methyl-methyl-azaniumyl]propanoate Openeye Name: (2S)-2-[(4-tert-butylphenyl)methyl-methyl-ammonio]propanoate CAS Name: (2S)-2-[(4-tert-butylphenyl)methyl-methylammonio]propanoate IUPAC Name: (2S)-2-[(4-tert-butylphenyl)methyl-methylazaniumyl]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzyl)-methyl-ammonio]propionate Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-11(14(17)18)16(5)10-12-6-8-13(9-7-12)15(2,3)4/h6-9,11H,10H2,1-5H3,(H,17,18)/t11-/m0/s1