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

Systemtic Name: 2-(6-diazanylpyridazin-3-yl)oxyethyl-[3-[2-(2-ethylsulfanylethyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [3-[2-(2-ethylsulfanylethyl)phenoxy]-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium CAS Name: [3-[2-[2-(ethylthio)ethyl]phenoxy]-2-hydroxypropyl]-[2-[(6-hydrazinyl-3-pyridazinyl)oxy]ethyl]-dimethylammonium IUPAC Name: [3-[2-(2-ethylsulfanylethyl)phenoxy]-2-hydroxypropyl]-[2-(6-hydrazinylpyridazin-3-yl)oxyethyl]-dimethylazanium Traditional Name: [3-[2-[2-(ethylthio)ethyl]phenoxy]-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium Formula: C21H34N5O3S+ MolecularWeight: 436.59136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N5O3S/c1-4-30-14-11-17-7-5-6-8-19(17)29-16-18(27)15-26(2,3)12-13-28-21-10-9-20(23-22)24-25-21/h5-10,18,27H,4,11-16,22H2,1-3H3,(H,23,24)/q+1