N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-4-amine

Systemtic Name: N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-4-amine Openeye Name: N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-4-amine CAS Name: N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]-1-methyl-4-piperidin-1-iumamine IUPAC Name: N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylpiperidin-1-ium-4-amine Traditional Name: [3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)amine Formula: C23H28FN4O+ MolecularWeight: 395.493023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NCC2=CN(N=C2C3=CC(=CC=C3)F)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCC(CC1)NCC2=CN(N=C2C3=CC(=CC=C3)F)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27FN4O/c1-27-12-10-20(11-13-27)25-15-18-16-28(21-6-8-22(29-2)9-7-21)26-23(18)17-4-3-5-19(24)14-17/h3-9,14,16,20,25H,10-13,15H2,1-2H3/p+1