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

Systemtic Name: 1-(3-methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(m-tolyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(3-methylphenyl)-5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(3-methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(m-tolyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione Formula: C16H19N4S+ MolecularWeight: 299.41386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C[NH+](CNC2=S)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C[NH+](CNC2=S)CC3=CN=CC=C3

InChI

InChI=1S/C16H18N4S/c1-13-4-2-6-15(8-13)20-12-19(11-18-16(20)21)10-14-5-3-7-17-9-14/h2-9H,10-12H2,1H3,(H,18,21)/p+1