N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-4-amine

Systemtic Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-4-amine Openeye Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-4-amine CAS Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-1-methyl-4-piperidin-1-iumamine IUPAC Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperidin-1-ium-4-amine Traditional Name: [3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)amine Formula: C22H25ClFN4+ MolecularWeight: 399.912103

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NCC2=CN(N=C2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCC(CC1)NCC2=CN(N=C2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24ClFN4/c1-27-12-10-18(11-13-27)25-14-16-15-28(19-8-6-17(24)7-9-19)26-22(16)20-4-2-3-5-21(20)23/h2-9,15,18,25H,10-14H2,1H3/p+1