1-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C18H25ClN5+ MolecularWeight: 346.8776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C=NN3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)/C=N\N3CC[NH+](CC3)C

InChI

InChI=1S/C18H24ClN5/c1-14-17(12-20-23-10-8-22(3)9-11-23)15(2)24(21-14)13-16-6-4-5-7-18(16)19/h4-7,12H,8-11,13H2,1-3H3/p+1/b20-12-