N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(5-methyl-1H-imidazol-3-ium-2-yl)ethanamine

Systemtic Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(5-methyl-1H-imidazol-3-ium-2-yl)ethanamine Openeye Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(5-methyl-1H-imidazol-3-ium-2-yl)ethanamine CAS Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(5-methyl-1H-imidazol-3-ium-2-yl)ethanamine IUPAC Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(5-methyl-1H-imidazol-3-ium-2-yl)ethanamine Traditional Name: [3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl-[2-(5-methyl-1H-imidazol-3-ium-2-yl)ethyl]amine Formula: C22H22ClFN5+ MolecularWeight: 410.894983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N1)CCNCC2=CN(N=C2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C[NH+]=C(N1)CCNCC2=CN(N=C2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21ClFN5/c1-15-12-26-21(27-15)10-11-25-13-16-14-29(18-8-6-17(24)7-9-18)28-22(16)19-4-2-3-5-20(19)23/h2-9,12,14,25H,10-11,13H2,1H3,(H,26,27)/p+1