2-methyl-3-(2-methyl-2-oxidanyl-5-phenyl-pyrazol-2-ium-3-yl)propanoic acid

Systemtic Name: 2-methyl-3-(2-methyl-2-oxidanyl-5-phenyl-pyrazol-2-ium-3-yl)propanoic acid Openeye Name: 3-(2-hydroxy-2-methyl-5-phenyl-pyrazol-2-ium-3-yl)-2-methyl-propanoic acid CAS Name: 3-(2-hydroxy-2-methyl-5-phenyl-3-pyrazol-2-iumyl)-2-methylpropanoic acid IUPAC Name: 3-(2-hydroxy-2-methyl-5-phenylpyrazol-2-ium-3-yl)-2-methylpropanoic acid Traditional Name: 3-(2-hydroxy-2-methyl-5-phenyl-pyrazol-2-ium-3-yl)-2-methyl-propionic acid Formula: C14H17N2O3+ MolecularWeight: 261.29638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=N[N+]1(C)O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CC1=CC(=N[N+]1(C)O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H16N2O3/c1-10(14(17)18)8-12-9-13(15-16(12,2)19)11-6-4-3-5-7-11/h3-7,9-10,19H,8H2,1-2H3/p+1