(2S)-2-azaniumyl-2-cyclohexa-1,4-dien-1-yl-ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-cyclohexa-1,4-dien-1-yl-ethanoate Openeye Name: (2S)-2-azaniumyl-2-cyclohexa-1,4-dien-1-yl-acetate CAS Name: (2S)-2-ammonio-2-(1-cyclohexa-1,4-dienyl)acetate IUPAC Name: (2S)-2-azaniumyl-2-cyclohexa-1,4-dien-1-ylacetate Traditional Name: (2S)-2-ammonio-2-cyclohexa-1,4-dien-1-yl-acetate Formula: C8H11NO2 MolecularWeight: 153.17844

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(=C1)C(C(=O)[O-])[NH3+]

Isomeric SMILES

C1C=CCC(=C1)[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C8H11NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)/t7-/m0/s1