N-(4-methylpiperazin-4-ium-1-yl)-1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methanimine

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methanimine Openeye Name: 1-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-1-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methanimine IUPAC Name: 1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C20H24N5S+ MolecularWeight: 366.50306

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5S/c1-23-9-11-24(12-10-23)21-14-18-16-25(15-17-6-3-2-4-7-17)22-20(18)19-8-5-13-26-19/h2-8,13-14,16H,9-12,15H2,1H3/p+1/b21-14-