(5R)-5-azaniumyl-5-(2,5-dimethylphenyl)pentanoate

Systemtic Name: (5R)-5-azaniumyl-5-(2,5-dimethylphenyl)pentanoate Openeye Name: (5R)-5-azaniumyl-5-(2,5-dimethylphenyl)pentanoate CAS Name: (5R)-5-ammonio-5-(2,5-dimethylphenyl)pentanoate IUPAC Name: (5R)-5-azaniumyl-5-(2,5-dimethylphenyl)pentanoate Traditional Name: (5R)-5-ammonio-5-(2,5-dimethylphenyl)valerate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-9-6-7-10(2)11(8-9)12(14)4-3-5-13(15)16/h6-8,12H,3-5,14H2,1-2H3,(H,15,16)/t12-/m1/s1