4,4-diethoxybutyl-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: 4,4-diethoxybutyl-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]azanium Openeye Name: 4,4-diethoxybutyl-[[1-(4-fluorophenyl)-3-(p-tolyl)pyrazol-4-yl]methyl]ammonium CAS Name: 4,4-diethoxybutyl-[[1-(4-fluorophenyl)-3-(4-methylphenyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: 4,4-diethoxybutyl-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]azanium Traditional Name: 4,4-diethoxybutyl-[[1-(4-fluorophenyl)-3-(p-tolyl)pyrazol-4-yl]methyl]ammonium Formula: C25H33FN3O2+ MolecularWeight: 426.546823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCC[NH2+]CC1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=C(C=C3)F)OCC

Isomeric SMILES

CCOC(CCC[NH2+]CC1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=C(C=C3)F)OCC

InChI

InChI=1S/C25H32FN3O2/c1-4-30-24(31-5-2)7-6-16-27-17-21-18-29(23-14-12-22(26)13-15-23)28-25(21)20-10-8-19(3)9-11-20/h8-15,18,24,27H,4-7,16-17H2,1-3H3/p+1