[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C23H29FN4O+2 MolecularWeight: 396.500963

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH2+]CC2=CN(N=C2C3=CC(=CC=C3)F)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH2+]CC2=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+2