(2S)-2-azaniumyl-2-(4-butoxyphenyl)ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-(4-butoxyphenyl)ethanoate Openeye Name: (2S)-2-azaniumyl-2-(4-butoxyphenyl)acetate CAS Name: (2S)-2-ammonio-2-(4-butoxyphenyl)acetate IUPAC Name: (2S)-2-azaniumyl-2-(4-butoxyphenyl)acetate Traditional Name: (2S)-2-ammonio-2-(4-butoxyphenyl)acetate Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C(=O)[O-])[NH3+]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H17NO3/c1-2-3-8-16-10-6-4-9(5-7-10)11(13)12(14)15/h4-7,11H,2-3,8,13H2,1H3,(H,14,15)/t11-/m0/s1