2-[6-(phenylmethylsulfanyl)-2,4-dihydro-1H-1,3,5-triazin-1-ium-3-yl]ethanol chloride

Systemtic Name: 2-[6-(phenylmethylsulfanyl)-2,4-dihydro-1H-1,3,5-triazin-1-ium-3-yl]ethanol chloride Openeye Name: 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-1-ium-3-yl)ethanol chloride CAS Name: 2-[6-(phenylmethylthio)-2,4-dihydro-1H-1,3,5-triazin-1-ium-3-yl]ethanol chloride IUPAC Name: 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-1-ium-3-yl)ethanol chloride Traditional Name: 2-[6-(benzylthio)-2,4-dihydro-1H-s-triazin-1-ium-3-yl]ethanol chloride Formula: C12H18ClN3OS MolecularWeight: 287.80882

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Descriptors Computed from Structure

Canonical SMILES:

C1[NH2+]C(=NCN1CCO)SCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C1[NH2+]C(=NCN1CCO)SCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C12H17N3OS.ClH/c16-7-6-15-9-13-12(14-10-15)17-8-11-4-2-1-3-5-11;/h1-5,16H,6-10H2,(H,13,14);1H