2-(6-chloranylpyridazin-3-yl)oxyethyl-[3-[2-(2-ethylsulfanylethyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: 2-(6-chloranylpyridazin-3-yl)oxyethyl-[3-[2-(2-ethylsulfanylethyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: 2-(6-chloropyridazin-3-yl)oxyethyl-[3-[2-(2-ethylsulfanylethyl)phenoxy]-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: 2-[(6-chloro-3-pyridazinyl)oxy]ethyl-[3-[2-[2-(ethylthio)ethyl]phenoxy]-2-hydroxypropyl]-dimethylammonium IUPAC Name: 2-(6-chloropyridazin-3-yl)oxyethyl-[3-[2-(2-ethylsulfanylethyl)phenoxy]-2-hydroxypropyl]-dimethylazanium Traditional Name: 2-(6-chloropyridazin-3-yl)oxyethyl-[3-[2-[2-(ethylthio)ethyl]phenoxy]-2-hydroxy-propyl]-dimethyl-ammonium Formula: C21H31ClN3O3S+ MolecularWeight: 441.00714

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC1=CC=CC=C1OCC(C[N+](C)(C)CCOC2=NN=C(C=C2)Cl)O

Isomeric SMILES

CCSCCC1=CC=CC=C1OCC(C[N+](C)(C)CCOC2=NN=C(C=C2)Cl)O

InChI

InChI=1S/C21H31ClN3O3S/c1-4-29-14-11-17-7-5-6-8-19(17)28-16-18(26)15-25(2,3)12-13-27-21-10-9-20(22)23-24-21/h5-10,18,26H,4,11-16H2,1-3H3/q+1