1-methyl-1-(1-pyridin-4-ylpyrazol-3-yl)-2-thiophen-2-yl-piperazin-1-ium

Systemtic Name: 1-methyl-1-(1-pyridin-4-ylpyrazol-3-yl)-2-thiophen-2-yl-piperazin-1-ium Openeye Name: 1-methyl-1-[1-(4-pyridyl)pyrazol-3-yl]-2-(2-thienyl)piperazin-1-ium CAS Name: 1-methyl-1-(1-pyridin-4-yl-3-pyrazolyl)-2-thiophen-2-ylpiperazin-1-ium IUPAC Name: 1-methyl-1-(1-pyridin-4-ylpyrazol-3-yl)-2-thiophen-2-ylpiperazin-1-ium Traditional Name: 1-methyl-1-[1-(4-pyridyl)pyrazol-3-yl]-2-(2-thienyl)piperazin-1-ium Formula: C17H20N5S+ MolecularWeight: 326.4392

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1C2=CC=CS2)C3=NN(C=C3)C4=CC=NC=C4

Isomeric SMILES

C[N+]1(CCNCC1C2=CC=CS2)C3=NN(C=C3)C4=CC=NC=C4

InChI

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