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

Systemtic Name: (2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)ammonio]-2-phenyl-acetate Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)C(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)[C@@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H19NO4/c1-19(17(18(20)21)14-5-3-2-4-6-14)12-13-7-8-15-16(11-13)23-10-9-22-15/h2-8,11,17H,9-10,12H2,1H3,(H,20,21)/t17-/m0/s1