(5R)-5-azaniumyl-5-(3,4-dimethylphenyl)pentanoate

Systemtic Name: (5R)-5-azaniumyl-5-(3,4-dimethylphenyl)pentanoate Openeye Name: (5R)-5-azaniumyl-5-(3,4-dimethylphenyl)pentanoate CAS Name: (5R)-5-ammonio-5-(3,4-dimethylphenyl)pentanoate IUPAC Name: (5R)-5-azaniumyl-5-(3,4-dimethylphenyl)pentanoate Traditional Name: (5R)-5-ammonio-5-(3,4-dimethylphenyl)valerate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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