(3S)-3-azaniumyl-4-(2,4,6-trimethoxyphenyl)butanoate

Systemtic Name: (3S)-3-azaniumyl-4-(2,4,6-trimethoxyphenyl)butanoate Openeye Name: (3S)-3-azaniumyl-4-(2,4,6-trimethoxyphenyl)butanoate CAS Name: (3S)-3-ammonio-4-(2,4,6-trimethoxyphenyl)butanoate IUPAC Name: (3S)-3-azaniumyl-4-(2,4,6-trimethoxyphenyl)butanoate Traditional Name: (3S)-3-ammonio-4-(2,4,6-trimethoxyphenyl)butyrate Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)CC(CC(=O)[O-])[NH3+])OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)C[C@@H](CC(=O)[O-])[NH3+])OC

InChI

InChI=1S/C13H19NO5/c1-17-9-6-11(18-2)10(12(7-9)19-3)4-8(14)5-13(15)16/h6-8H,4-5,14H2,1-3H3,(H,15,16)/t8-/m0/s1