5-[(3S)-3-azaniumylbutyl]-2-oxidanyl-benzoate

Systemtic Name: 5-[(3S)-3-azaniumylbutyl]-2-oxidanyl-benzoate Openeye Name: 5-[(3S)-3-azaniumylbutyl]-2-hydroxy-benzoate CAS Name: 5-[(3S)-3-ammoniobutyl]-2-hydroxybenzoate IUPAC Name: 5-[(3S)-3-azaniumylbutyl]-2-hydroxybenzoate Traditional Name: 5-[(3S)-3-ammoniobutyl]-2-hydroxy-benzoate Formula: C11H15NO3 MolecularWeight: 209.2417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=C(C=C1)O)C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@@H](CCC1=CC(=C(C=C1)O)C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H15NO3/c1-7(12)2-3-8-4-5-10(13)9(6-8)11(14)15/h4-7,13H,2-3,12H2,1H3,(H,14,15)/t7-/m0/s1