diethyl-[2-[3-(2-methoxyphenyl)-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[3-(2-methoxyphenyl)-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[3-(2-methoxyphenyl)-4-thioxo-1,3,5-triazinan-1-ium-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[3-(2-methoxyphenyl)-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[3-(2-methoxyphenyl)-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[3-(2-methoxyphenyl)-4-thioxo-1,3,5-triazinan-1-ium-1-yl]ethyl]ammonium Formula: C16H28N4OS+2 MolecularWeight: 324.48472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH+]1CNC(=S)N(C1)C2=CC=CC=C2OC

Isomeric SMILES

CC[NH+](CC)CC[NH+]1CNC(=S)N(C1)C2=CC=CC=C2OC

InChI

InChI=1S/C16H26N4OS/c1-4-18(5-2)10-11-19-12-17-16(22)20(13-19)14-8-6-7-9-15(14)21-3/h6-9H,4-5,10-13H2,1-3H3,(H,17,22)/p+2