(2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)azaniumyl]propanoate

Systemtic Name: (2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)azaniumyl]propanoate Openeye Name: (2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)ammonio]propanoate CAS Name: (2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)ammonio]propanoate IUPAC Name: (2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)azaniumyl]propanoate Traditional Name: (2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)ammonio]propionate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH+](C)CC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH+](C)CC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H17NO4/c1-9(13(15)16)14(2)8-10-3-4-11-12(7-10)18-6-5-17-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,16)/t9-/m0/s1