(4S,5S)-5-methyl-2-methylsulfanyl-3-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-ol

Systemtic Name: (4S,5S)-5-methyl-2-methylsulfanyl-3-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-ol Openeye Name: (4S,5S)-5-methyl-2-methylsulfanyl-3-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-ol CAS Name: (4S,5S)-5-methyl-2-(methylthio)-3-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-ol IUPAC Name: (4S,5S)-5-methyl-2-methylsulfanyl-3-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-ol Traditional Name: (4S,5S)-5-methyl-2-(methylthio)-3-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-ol Formula: C12H17N2OS+ MolecularWeight: 237.34118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=[N+](C1O)C2=CC=CC=C2)SC

Isomeric SMILES

C[C@H]1CNC(=[N+]([C@H]1O)C2=CC=CC=C2)SC

InChI

InChI=1S/C12H16N2OS/c1-9-8-13-12(16-2)14(11(9)15)10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3/p+1/t9-,11-/m0/s1