1-[(4-chlorophenyl)methyl]-2-dodecyl-3,5-dimethyl-pyrazol-1-ium bromide

Systemtic Name: 1-[(4-chlorophenyl)methyl]-2-dodecyl-3,5-dimethyl-pyrazol-1-ium bromide Openeye Name: 1-[(4-chlorophenyl)methyl]-2-dodecyl-3,5-dimethyl-pyrazol-1-ium bromide CAS Name: 1-[(4-chlorophenyl)methyl]-2-dodecyl-3,5-dimethylpyrazol-1-ium bromide IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-dodecyl-3,5-dimethylpyrazol-1-ium bromide Traditional Name: 1-(4-chlorobenzyl)-2-lauryl-3,5-dimethyl-pyrazol-1-ium bromide Formula: C24H38BrClN2 MolecularWeight: 469.92892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=CC(=[N+]1CC2=CC=C(C=C2)Cl)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCN1C(=CC(=[N+]1CC2=CC=C(C=C2)Cl)C)C.[Br-]

InChI

InChI=1S/C24H38ClN2.BrH/c1-4-5-6-7-8-9-10-11-12-13-18-26-21(2)19-22(3)27(26)20-23-14-16-24(25)17-15-23;/h14-17,19H,4-13,18,20H2,1-3H3;1H/q+1;/p-1