2-(6-chloranylpyridazin-3-yl)sulfanylethyl-[3-(2-cyanophenoxy)-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: 2-(6-chloranylpyridazin-3-yl)sulfanylethyl-[3-(2-cyanophenoxy)-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: 2-(6-chloropyridazin-3-yl)sulfanylethyl-[3-(2-cyanophenoxy)-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: 2-[(6-chloro-3-pyridazinyl)thio]ethyl-[3-(2-cyanophenoxy)-2-hydroxypropyl]-dimethylammonium IUPAC Name: 2-(6-chloropyridazin-3-yl)sulfanylethyl-[3-(2-cyanophenoxy)-2-hydroxypropyl]-dimethylazanium Traditional Name: 2-[(6-chloropyridazin-3-yl)thio]ethyl-[3-(2-cyanophenoxy)-2-hydroxy-propyl]-dimethyl-ammonium Formula: C18H22ClN4O2S+ MolecularWeight: 393.91088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCSC1=NN=C(C=C1)Cl)CC(COC2=CC=CC=C2C#N)O

Isomeric SMILES

C[N+](C)(CCSC1=NN=C(C=C1)Cl)CC(COC2=CC=CC=C2C#N)O

InChI

InChI=1S/C18H22ClN4O2S/c1-23(2,9-10-26-18-8-7-17(19)21-22-18)12-15(24)13-25-16-6-4-3-5-14(16)11-20/h3-8,15,24H,9-10,12-13H2,1-2H3/q+1