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

Systemtic Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanimine CAS Name: 1-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine Traditional Name: (E)-(4-benzylpiperazin-4-ium-1-yl)-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene]amine Formula: C23H28N5+ MolecularWeight: 374.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/p+1/b24-17+