1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-2-thiophen-2-yl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-2-thiophen-2-yl-piperazin-1-ium Openeye Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)-2-(2-thienyl)piperazin-1-ium CAS Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-2-thiophen-2-ylpiperazin-1-ium IUPAC Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-2-thiophen-2-ylpiperazin-1-ium Traditional Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)-2-(2-thienyl)piperazin-1-ium Formula: C17H20N5S+ MolecularWeight: 326.4392

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1C2=CC=CS2)C3=CC=NN3)C4=CC=NC=C4

Isomeric SMILES

C[N+]1(CCN(CC1C2=CC=CS2)C3=CC=NN3)C4=CC=NC=C4

InChI

InChI=1S/C17H20N5S/c1-22(14-4-7-18-8-5-14)11-10-21(17-6-9-19-20-17)13-15(22)16-3-2-12-23-16/h2-9,12,15H,10-11,13H2,1H3,(H,19,20)/q+1