1-hexadecyl-2,3,5-trimethyl-pyrazol-2-ium

Systemtic Name: 1-hexadecyl-2,3,5-trimethyl-pyrazol-2-ium Openeye Name: 1-hexadecyl-2,3,5-trimethyl-pyrazol-2-ium CAS Name: 1-hexadecyl-2,3,5-trimethylpyrazol-2-ium IUPAC Name: 1-hexadecyl-2,3,5-trimethylpyrazol-2-ium Traditional Name: 1-cetyl-2,3,5-trimethyl-pyrazol-2-ium Formula: C22H43N2+ MolecularWeight: 335.59022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=CC(=[N+]1C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=CC(=[N+]1C)C)C

InChI

InChI=1S/C22H43N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(3)20-21(2)23(24)4/h20H,5-19H2,1-4H3/q+1