5-(2-hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-(2-hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-(2-hydroxyethyl)-1-(m-tolyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-(2-hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-(2-hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-(2-hydroxyethyl)-1-(m-tolyl)-1,3,5-triazinan-5-ium-2-thione Formula: C12H18N3OS+ MolecularWeight: 252.35582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C[NH+](CNC2=S)CCO

Isomeric SMILES

CC1=CC(=CC=C1)N2C[NH+](CNC2=S)CCO

InChI

InChI=1S/C12H17N3OS/c1-10-3-2-4-11(7-10)15-9-14(5-6-16)8-13-12(15)17/h2-4,7,16H,5-6,8-9H2,1H3,(H,13,17)/p+1