1-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C16H20ClFN5+ MolecularWeight: 336.814903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2CC[NH+](CC2)C)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1/C=N\N2CC[NH+](CC2)C)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H19ClFN5/c1-12-15(11-19-22-9-7-21(2)8-10-22)16(17)23(20-12)14-5-3-13(18)4-6-14/h3-6,11H,7-10H2,1-2H3/p+1/b19-11-