5-butyl-1-phenyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-butyl-1-phenyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-butyl-1-phenyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-butyl-1-phenyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-butyl-1-phenyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-butyl-1-phenyl-1,3,5-triazinan-5-ium-2-thione Formula: C13H20N3S+ MolecularWeight: 250.383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CNC(=S)N(C1)C2=CC=CC=C2

Isomeric SMILES

CCCC[NH+]1CNC(=S)N(C1)C2=CC=CC=C2

InChI

InChI=1S/C13H19N3S/c1-2-3-9-15-10-14-13(17)16(11-15)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,14,17)/p+1