1-cyclohexyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-cyclohexyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-cyclohexyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-cyclohexyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-cyclohexyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-cyclohexyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Formula: C17H26N3S+ MolecularWeight: 304.47344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C[NH+](CNC2=S)CCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)N2C[NH+](CNC2=S)CCC3=CC=CC=C3

InChI

InChI=1S/C17H25N3S/c21-17-18-13-19(12-11-15-7-3-1-4-8-15)14-20(17)16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,18,21)/p+1