1-(6-methylpyridin-2-yl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-(6-methylpyridin-2-yl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(6-methyl-2-pyridyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(6-methyl-2-pyridinyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(6-methylpyridin-2-yl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(6-methyl-2-pyridyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Formula: C17H21N4S+ MolecularWeight: 313.44044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C[NH+](CNC2=S)CCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)N2C[NH+](CNC2=S)CCC3=CC=CC=C3

InChI

InChI=1S/C17H20N4S/c1-14-6-5-9-16(19-14)21-13-20(12-18-17(21)22)11-10-15-7-3-2-4-8-15/h2-9H,10-13H2,1H3,(H,18,22)/p+1