(2S)-2-azaniumyl-3-[(4R)-2,6-dimethyl-4-oxidanyl-cyclohexa-1,5-dien-1-yl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(4R)-2,6-dimethyl-4-oxidanyl-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(4R)-4-hydroxy-2,6-dimethyl-cyclohexa-1,5-dien-1-yl]propanoate CAS Name: (2S)-2-ammonio-3-[(4R)-4-hydroxy-2,6-dimethyl-1-cyclohexa-1,5-dienyl]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(4R)-4-hydroxy-2,6-dimethylcyclohexa-1,5-dien-1-yl]propanoate Traditional Name: (2S)-2-ammonio-3-[(4R)-4-hydroxy-2,6-dimethyl-cyclohexa-1,5-dien-1-yl]propionate Formula: C11H17NO3 MolecularWeight: 211.25758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3,8,10,13H,4-5,12H2,1-2H3,(H,14,15)/t8-,10-/m0/s1