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

Systemtic Name: 1-(2,5-dimethylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(2,5-dimethylphenyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(2,5-dimethylphenyl)-5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(2,5-dimethylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(2,5-dimethylphenyl)-5-(3-pyridylmethyl)-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=CC(=C(C=C1)C)N2C[NH+](CNC2=S)CC3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4S/c1-13-5-6-14(2)16(8-13)21-12-20(11-19-17(21)22)10-15-4-3-7-18-9-15/h3-9H,10-12H2,1-2H3,(H,19,22)/p+1