(2R)-2-methylsulfanyl-6-oxidanylidene-4-phenyl-2-piperidin-1-ium-1-yl-1,5-dihydropyrimidine-5-carbonitrile

Systemtic Name: (2R)-2-methylsulfanyl-6-oxidanylidene-4-phenyl-2-piperidin-1-ium-1-yl-1,5-dihydropyrimidine-5-carbonitrile Openeye Name: (2R)-2-methylsulfanyl-6-oxo-4-phenyl-2-piperidin-1-ium-1-yl-1,5-dihydropyrimidine-5-carbonitrile CAS Name: (2R)-2-(methylthio)-6-oxo-4-phenyl-2-(1-piperidin-1-iumyl)-1,5-dihydropyrimidine-5-carbonitrile IUPAC Name: (2R)-2-methylsulfanyl-6-oxo-4-phenyl-2-piperidin-1-ium-1-yl-1,5-dihydropyrimidine-5-carbonitrile Traditional Name: (2R)-6-keto-2-(methylthio)-4-phenyl-2-piperidin-1-ium-1-yl-1,5-dihydropyrimidine-5-carbonitrile Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(NC(=O)C(C(=N1)C2=CC=CC=C2)C#N)[NH+]3CCCCC3

Isomeric SMILES

CS[C@@]1(NC(=O)C(C(=N1)C2=CC=CC=C2)C#N)[NH+]3CCCCC3

InChI

InChI=1S/C17H20N4OS/c1-23-17(21-10-6-3-7-11-21)19-15(13-8-4-2-5-9-13)14(12-18)16(22)20-17/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,20,22)/p+1/t14?,17-/m0/s1