1-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanimine CAS Name: 1-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine Traditional Name: (Z)-(4-benzylpiperazin-4-ium-1-yl)-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]amine Formula: C22H25ClN5+ MolecularWeight: 394.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2CC[NH+](CC2)CC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N\N2CC[NH+](CC2)CC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

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