1-piperidin-1-yl-2-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-piperidin-1-yl-2-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-piperidyl)-2-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 1-piperidin-1-yl-2-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-piperidino-2-[4-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]piperazin-1-ium-1-yl]ethanone Formula: C19H26N5O2S2+ MolecularWeight: 420.57204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C19H25N5O2S2/c25-16(23-5-2-1-3-6-23)12-22-7-9-24(10-8-22)17(26)13-28-19-15-4-11-27-18(15)20-14-21-19/h4,11,14H,1-3,5-10,12-13H2/p+1