(2R)-2-[[(5R)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-5-yl]azaniumyl]-3-methyl-butanoate

Systemtic Name: (2R)-2-[[(5R)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-5-yl]azaniumyl]-3-methyl-butanoate Openeye Name: (2R)-2-[[(5R)-3-(2-furyl)-4,5-dihydro-1H-pyrazol-5-yl]ammonio]-3-methyl-butanoate CAS Name: (2R)-2-[[(5R)-3-(2-furanyl)-4,5-dihydro-1H-pyrazol-5-yl]ammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[[(5R)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-5-yl]azaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[[(3R)-5-(2-furyl)-2-pyrazolin-3-yl]ammonio]-3-methyl-butyrate Formula: C12H17N3O3 MolecularWeight: 251.28168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]C1CC(=NN1)C2=CC=CO2

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])[NH2+][C@H]1CC(=NN1)C2=CC=CO2

InChI

InChI=1S/C12H17N3O3/c1-7(2)11(12(16)17)13-10-6-8(14-15-10)9-4-3-5-18-9/h3-5,7,10-11,13,15H,6H2,1-2H3,(H,16,17)/t10-,11-/m1/s1