(2R)-2-(azaniumylmethyl)-3-(4-ethylphenyl)-2-methyl-propanoate

Systemtic Name: (2R)-2-(azaniumylmethyl)-3-(4-ethylphenyl)-2-methyl-propanoate Openeye Name: (2R)-2-(azaniumylmethyl)-3-(4-ethylphenyl)-2-methyl-propanoate CAS Name: (2R)-2-(ammoniomethyl)-3-(4-ethylphenyl)-2-methylpropanoate IUPAC Name: (2R)-2-(azaniumylmethyl)-3-(4-ethylphenyl)-2-methylpropanoate Traditional Name: (2R)-2-(ammoniomethyl)-3-(4-ethylphenyl)-2-methyl-propionate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(C)(C[NH3+])C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C[C@](C)(C[NH3+])C(=O)[O-]

InChI

InChI=1S/C13H19NO2/c1-3-10-4-6-11(7-5-10)8-13(2,9-14)12(15)16/h4-7H,3,8-9,14H2,1-2H3,(H,15,16)/t13-/m1/s1