1-(3-chlorophenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-(3-chlorophenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-benzyl-1-(3-chlorophenyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(3-chlorophenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-benzyl-1-(3-chlorophenyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-benzyl-1-(3-chlorophenyl)-1,3,5-triazinan-5-ium-2-thione Formula: C16H17ClN3S+ MolecularWeight: 318.84428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CC2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1NC(=S)N(C[NH+]1CC2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H16ClN3S/c17-14-7-4-8-15(9-14)20-12-19(11-18-16(20)21)10-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,18,21)/p+1