1-[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[1-(2-chlorobenzyl)-3-phenyl-pyrazol-4-yl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C22H25ClN5+ MolecularWeight: 394.9204

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN5/c1-26-11-13-27(14-12-26)24-15-20-17-28(16-19-9-5-6-10-21(19)23)25-22(20)18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3/p+1/b24-15-