(2S)-2-(azaniumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate

Systemtic Name: (2S)-2-(azaniumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate Openeye Name: (2S)-2-(azaniumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate CAS Name: (2S)-2-(ammoniomethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate IUPAC Name: (2S)-2-(azaniumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate Traditional Name: (2S)-2-(ammoniomethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propionate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CC(C[NH3+])C(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C[C@@H](C[NH3+])C(=O)[O-]

InChI

InChI=1S/C12H15NO4/c13-7-9(12(14)15)5-8-1-2-10-11(6-8)17-4-3-16-10/h1-2,6,9H,3-5,7,13H2,(H,14,15)/t9-/m0/s1