N-(4-methylpiperazin-4-ium-1-yl)-1-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanimine

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanimine Openeye Name: 1-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-1-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methanimine IUPAC Name: 1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C21H25N6+ MolecularWeight: 361.4634

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N6/c1-25-10-12-26(13-11-25)23-15-20-17-27(16-18-6-3-2-4-7-18)24-21(20)19-8-5-9-22-14-19/h2-9,14-15,17H,10-13,16H2,1H3/p+1/b23-15-