2-methylsulfanyl-6-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-methylsulfanyl-6-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-pyrimidin-4-one Openeye Name: 2-methylsulfanyl-6-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrimidin-4-one CAS Name: 2-(methylthio)-6-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-methylsulfanyl-6-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-pyrimidin-4-one Traditional Name: 2-(methylthio)-6-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrimidin-4-one Formula: C14H18N3OS2+ MolecularWeight: 308.44222

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)C[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

CSC1=NC(=O)C=C(N1)C[NH+]2CCC[C@H]2C3=CC=CS3

InChI

InChI=1S/C14H17N3OS2/c1-19-14-15-10(8-13(18)16-14)9-17-6-2-4-11(17)12-5-3-7-20-12/h3,5,7-8,11H,2,4,6,9H2,1H3,(H,15,16,18)/p+1/t11-/m0/s1