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

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[1-(phenylmethyl)pyrazol-4-yl]methanimine Openeye Name: 1-(1-benzylpyrazol-4-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-1-[1-(phenylmethyl)-4-pyrazolyl]methanimine IUPAC Name: 1-(1-benzylpyrazol-4-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-(1-benzylpyrazol-4-yl)methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C16H22N5+ MolecularWeight: 284.37938

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N5/c1-19-7-9-20(10-8-19)17-11-16-12-18-21(14-16)13-15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3/p+1/b17-11-