(3S)-3-azaniumyl-3-(4-propoxyphenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(4-propoxyphenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(4-propoxyphenyl)propanoate CAS Name: (3S)-3-ammonio-3-(4-propoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(4-propoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(4-propoxyphenyl)propionate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C12H17NO3/c1-2-7-16-10-5-3-9(4-6-10)11(13)8-12(14)15/h3-6,11H,2,7-8,13H2,1H3,(H,14,15)/t11-/m0/s1