2-(6-diazanylpyridazin-3-yl)sulfanylethyl-dimethyl-[2-oxidanyl-3-(2-prop-2-ynylphenoxy)propyl]azanium

Systemtic Name: 2-(6-diazanylpyridazin-3-yl)sulfanylethyl-dimethyl-[2-oxidanyl-3-(2-prop-2-ynylphenoxy)propyl]azanium Openeye Name: 2-(6-hydrazinopyridazin-3-yl)sulfanylethyl-[2-hydroxy-3-(2-prop-2-ynylphenoxy)propyl]-dimethyl-ammonium CAS Name: 2-[(6-hydrazinyl-3-pyridazinyl)thio]ethyl-[2-hydroxy-3-(2-prop-2-ynylphenoxy)propyl]-dimethylammonium IUPAC Name: 2-(6-hydrazinylpyridazin-3-yl)sulfanylethyl-[2-hydroxy-3-(2-prop-2-ynylphenoxy)propyl]-dimethylazanium Traditional Name: 2-[(6-hydrazinopyridazin-3-yl)thio]ethyl-[2-hydroxy-3-(2-propargylphenoxy)propyl]-dimethyl-ammonium Formula: C20H28N5O2S+ MolecularWeight: 402.53362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCSC1=NN=C(C=C1)NN)CC(COC2=CC=CC=C2CC#C)O

Isomeric SMILES

C[N+](C)(CCSC1=NN=C(C=C1)NN)CC(COC2=CC=CC=C2CC#C)O

InChI

InChI=1S/C20H28N5O2S/c1-4-7-16-8-5-6-9-18(16)27-15-17(26)14-25(2,3)12-13-28-20-11-10-19(22-21)23-24-20/h1,5-6,8-11,17,26H,7,12-15,21H2,2-3H3,(H,22,23)/q+1