(3R)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylazaniumyl]butanoate

Systemtic Name: (3R)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylazaniumyl]butanoate Openeye Name: (3R)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylammonio]butanoate CAS Name: (3R)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylammonio]butanoate IUPAC Name: (3R)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylazaniumyl]butanoate Traditional Name: (3R)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylammonio]butyrate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])[NH2+]CC1COC2=CC=CC=C2O1

Isomeric SMILES

C[C@H](CC(=O)[O-])[NH2+]C[C@@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C13H17NO4/c1-9(6-13(15)16)14-7-10-8-17-11-4-2-3-5-12(11)18-10/h2-5,9-10,14H,6-8H2,1H3,(H,15,16)/t9-,10-/m1/s1