5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-olate

Systemtic Name: 5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-olate Openeye Name: 5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-2-thioxo-1H-pyrimidin-6-olate CAS Name: 5-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate IUPAC Name: 5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate Traditional Name: 4-keto-5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-thioxo-1H-pyrimidin-6-olate Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(NC(=S)NC2=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(NC(=S)NC2=O)[O-]

InChI

InChI=1S/C11H17N3O2S/c1-7-3-2-4-14(5-7)6-8-9(15)12-11(17)13-10(8)16/h7H,2-6H2,1H3,(H3,12,13,15,16,17)/t7-/m0/s1