1,2-dimethyl-4-pentyl-3,5-diphenyl-pyrazol-1-ium perchlorate

Systemtic Name: 1,2-dimethyl-4-pentyl-3,5-diphenyl-pyrazol-1-ium perchlorate Openeye Name: 1,2-dimethyl-4-pentyl-3,5-diphenyl-pyrazol-1-ium perchlorate CAS Name: 1,2-dimethyl-4-pentyl-3,5-diphenylpyrazol-1-ium perchlorate IUPAC Name: 1,2-dimethyl-4-pentyl-3,5-diphenylpyrazol-1-ium perchlorate Traditional Name: 4-amyl-1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium perchlorate Formula: C22H27ClN2O4 MolecularWeight: 418.91378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H27N2.ClHO4/c1-4-5-8-17-20-21(18-13-9-6-10-14-18)23(2)24(3)22(20)19-15-11-7-12-16-19;2-1(3,4)5/h6-7,9-16H,4-5,8,17H2,1-3H3;(H,2,3,4,5)/q+1;/p-1