(2S)-2-azaniumyl-2-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: (2S)-2-azaniumyl-2-(1,3-benzodioxol-5-yl)propanoate Openeye Name: (2S)-2-azaniumyl-2-(1,3-benzodioxol-5-yl)propanoate CAS Name: (2S)-2-ammonio-2-(1,3-benzodioxol-5-yl)propanoate IUPAC Name: (2S)-2-azaniumyl-2-(1,3-benzodioxol-5-yl)propanoate Traditional Name: (2S)-2-ammonio-2-(1,3-benzodioxol-5-yl)propionate Formula: C10H11NO4 MolecularWeight: 209.19864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)(C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@](C1=CC2=C(C=C1)OCO2)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C10H11NO4/c1-10(11,9(12)13)6-2-3-7-8(4-6)15-5-14-7/h2-4H,5,11H2,1H3,(H,12,13)/t10-/m0/s1