4-butoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium

Systemtic Name: 4-butoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium Openeye Name: 4-butoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium CAS Name: 4-butoxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium IUPAC Name: 4-butoxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium Traditional Name: 4-butoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium Formula: C21H25N2O+ MolecularWeight: 321.436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N2O/c1-4-5-16-24-21-19(17-12-8-6-9-13-17)22(2)23(3)20(21)18-14-10-7-11-15-18/h6-15H,4-5,16H2,1-3H3/q+1