1-[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[3-(2,5-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CN(N=C2C3=C(C=CC(=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CN(N=C2C3=C(C=CC(=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-26-11-13-27(14-12-26)24-16-18-17-28(19-7-5-4-6-8-19)25-23(18)21-15-20(29-2)9-10-22(21)30-3/h4-10,15-17H,11-14H2,1-3H3/p+1/b24-16-