(2S)-2-azaniumyl-2-(3,4-dipropoxyphenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-2-(3,4-dipropoxyphenyl)propanoate Openeye Name: (2S)-2-azaniumyl-2-(3,4-dipropoxyphenyl)propanoate CAS Name: (2S)-2-ammonio-2-(3,4-dipropoxyphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-2-(3,4-dipropoxyphenyl)propanoate Traditional Name: (2S)-2-ammonio-2-(3,4-dipropoxyphenyl)propionate Formula: C15H23NO4 MolecularWeight: 281.34742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO4/c1-4-8-19-12-7-6-11(15(3,16)14(17)18)10-13(12)20-9-5-2/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,18)/t15-/m0/s1