1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-(2-pyrimidylthio)ethanone Formula: C15H18N5OS+ MolecularWeight: 316.40132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C15H17N5OS/c21-14(12-22-15-17-6-3-7-18-15)20-10-8-19(9-11-20)13-4-1-2-5-16-13/h1-7H,8-12H2/p+1