1-(1-oxidanyl-1-phenyl-pyrazol-1-ium-4-yl)dodecan-1-one

Systemtic Name: 1-(1-oxidanyl-1-phenyl-pyrazol-1-ium-4-yl)dodecan-1-one Openeye Name: 1-(1-hydroxy-1-phenyl-pyrazol-1-ium-4-yl)dodecan-1-one CAS Name: 1-(1-hydroxy-1-phenyl-4-pyrazol-1-iumyl)-1-dodecanone IUPAC Name: 1-(1-hydroxy-1-phenylpyrazol-1-ium-4-yl)dodecan-1-one Traditional Name: 1-(1-hydroxy-1-phenyl-pyrazol-1-ium-4-yl)dodecan-1-one Formula: C21H31N2O2+ MolecularWeight: 343.48304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C[N+](N=C1)(C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C[N+](N=C1)(C2=CC=CC=C2)O

InChI

InChI=1S/C21H31N2O2/c1-2-3-4-5-6-7-8-9-13-16-21(24)19-17-22-23(25,18-19)20-14-11-10-12-15-20/h10-12,14-15,17-18,25H,2-9,13,16H2,1H3/q+1