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

Systemtic Name: 2-[6-(phenylmethylsulfanyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl]ethanol Openeye Name: 2-(6-benzylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol CAS Name: 2-[6-(phenylmethylthio)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl]ethanol IUPAC Name: 2-(6-benzylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol Traditional Name: 2-[6-(benzylthio)-1,2,3,4-tetrahydro-s-triazin-3-ium-3-yl]ethanol Formula: C12H18N3OS+ MolecularWeight: 252.35582

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=NC[NH+]1CCO)SCC2=CC=CC=C2

Isomeric SMILES

C1NC(=NC[NH+]1CCO)SCC2=CC=CC=C2

InChI

InChI=1S/C12H17N3OS/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)/p+1