1-(1,3-diphenylpyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-(1,3-diphenylpyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(1,3-diphenylpyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-(1,3-diphenyl-4-pyrazolyl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(1,3-diphenylpyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (Z)-(1,3-diphenylpyrazol-4-yl)methylene-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C25H25N6+ MolecularWeight: 409.5062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)N=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)/N=C\C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N6/c1-3-9-21(10-4-1)25-22(20-31(28-25)23-11-5-2-6-12-23)19-27-30-17-15-29(16-18-30)24-13-7-8-14-26-24/h1-14,19-20H,15-18H2/p+1/b27-19-