7-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C17H19N4O3S3+ MolecularWeight: 423.55276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C17H18N4O3S3/c22-16-10-13(19-17-21(16)8-9-25-17)12-26-15-5-4-14(11-18-15)27(23,24)20-6-2-1-3-7-20/h4-5,8-11H,1-3,6-7,12H2/p+1