(5R)-5-azaniumyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanoate

Systemtic Name: (5R)-5-azaniumyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanoate Openeye Name: (5R)-5-azaniumyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanoate CAS Name: (5R)-5-ammonio-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanoate IUPAC Name: (5R)-5-azaniumyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanoate Traditional Name: (5R)-5-ammonio-5-(2,3-dihydro-1,4-benzodioxin-6-yl)valerate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c14-10(2-1-3-13(15)16)9-4-5-11-12(8-9)18-7-6-17-11/h4-5,8,10H,1-3,6-7,14H2,(H,15,16)/t10-/m1/s1