1-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-1-ium-3-one

Systemtic Name: 1-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-1-ium-3-one Openeye Name: 1-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-1-ium-3-one CAS Name: 1-(hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidin-1-iumone IUPAC Name: 1-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-1-ium-3-one Traditional Name: 4-methyl-1-methylol-1-phenyl-pyrazolidin-1-ium-3-one Formula: C11H15N2O2+ MolecularWeight: 207.249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](NC1=O)(CO)C2=CC=CC=C2

Isomeric SMILES

CC1C[N+](NC1=O)(CO)C2=CC=CC=C2

InChI

InChI=1S/C11H14N2O2/c1-9-7-13(8-14,12-11(9)15)10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3/p+1