1-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C16H21ClN5+ MolecularWeight: 318.82444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN5/c1-13-15(12-18-21-10-8-20(2)9-11-21)16(17)22(19-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3/p+1/b18-12-