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

Systemtic Name: 1-[5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[5-chloro-1-(4-fluorobenzyl)-3-methyl-pyrazol-4-yl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C17H22ClFN5+ MolecularWeight: 350.841483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2CC[NH+](CC2)C)Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1/C=N\N2CC[NH+](CC2)C)Cl)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H21ClFN5/c1-13-16(11-20-23-9-7-22(2)8-10-23)17(18)24(21-13)12-14-3-5-15(19)6-4-14/h3-6,11H,7-10,12H2,1-2H3/p+1/b20-11-