5-[(4-methoxyphenyl)methyl]-1-(2-methylphenyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-1-(2-methylphenyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-[(4-methoxyphenyl)methyl]-1-(o-tolyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-[(4-methoxyphenyl)methyl]-1-(2-methylphenyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-[(4-methoxyphenyl)methyl]-1-(2-methylphenyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(o-tolyl)-5-p-anisyl-1,3,5-triazinan-5-ium-2-thione Formula: C18H22N3OS+ MolecularWeight: 328.45178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C[NH+](CNC2=S)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1N2C[NH+](CNC2=S)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H21N3OS/c1-14-5-3-4-6-17(14)21-13-20(12-19-18(21)23)11-15-7-9-16(22-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,19,23)/p+1