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

Systemtic Name: 1-(2-methylphenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(o-tolyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(2-methylphenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(2-methylphenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(o-tolyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Formula: C18H22N3S+ MolecularWeight: 312.45238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C[NH+](CNC2=S)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C[NH+](CNC2=S)CCC3=CC=CC=C3

InChI

InChI=1S/C18H21N3S/c1-15-7-5-6-10-17(15)21-14-20(13-19-18(21)22)12-11-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,19,22)/p+1