(2R)-2-azaniumyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoate

Systemtic Name: (2R)-2-azaniumyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoate Openeye Name: (2R)-2-azaniumyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoate CAS Name: (2R)-2-ammonio-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoate IUPAC Name: (2R)-2-azaniumyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoate Traditional Name: (2R)-2-ammonio-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propionate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)(C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@@](C1=CC2=C(C=C1)OCCCO2)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H15NO4/c1-12(13,11(14)15)8-3-4-9-10(7-8)17-6-2-5-16-9/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)/t12-/m1/s1