(4R)-4-azaniumyl-4-(2,4,6-trimethylphenyl)butanoate

Systemtic Name: (4R)-4-azaniumyl-4-(2,4,6-trimethylphenyl)butanoate Openeye Name: (4R)-4-azaniumyl-4-(2,4,6-trimethylphenyl)butanoate CAS Name: (4R)-4-ammonio-4-(2,4,6-trimethylphenyl)butanoate IUPAC Name: (4R)-4-azaniumyl-4-(2,4,6-trimethylphenyl)butanoate Traditional Name: (4R)-4-ammonio-4-mesityl-butyrate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(CCC(=O)[O-])[NH3+])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@@H](CCC(=O)[O-])[NH3+])C

InChI

InChI=1S/C13H19NO2/c1-8-6-9(2)13(10(3)7-8)11(14)4-5-12(15)16/h6-7,11H,4-5,14H2,1-3H3,(H,15,16)/t11-/m1/s1