2-[[(1R)-3-oxidanylidene-2-propyl-1H-isoindol-1-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[(1R)-3-oxidanylidene-2-propyl-1H-isoindol-1-yl]azaniumyl]ethanoate Openeye Name: 2-[[(1R)-3-oxo-2-propyl-isoindolin-1-yl]ammonio]acetate CAS Name: 2-[[(1R)-3-oxo-2-propyl-1H-isoindol-1-yl]ammonio]acetate IUPAC Name: 2-[[(1R)-3-oxo-2-propyl-1H-isoindol-1-yl]azaniumyl]acetate Traditional Name: 2-[[(1R)-3-keto-2-propyl-isoindolin-1-yl]ammonio]acetate Formula: C13H16N2O3 MolecularWeight: 248.27774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)[NH2+]CC(=O)[O-]

Isomeric SMILES

CCCN1[C@H](C2=CC=CC=C2C1=O)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C13H16N2O3/c1-2-7-15-12(14-8-11(16)17)9-5-3-4-6-10(9)13(15)18/h3-6,12,14H,2,7-8H2,1H3,(H,16,17)/t12-/m1/s1