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

Systemtic Name: 2-(6-diazanylpyridazin-3-yl)sulfanylethyl-dimethyl-[3-(2-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 2-(6-hydrazinopyridazin-3-yl)sulfanylethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]-dimethyl-ammonium CAS Name: 2-[(6-hydrazinyl-3-pyridazinyl)thio]ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]-dimethylammonium IUPAC Name: 2-(6-hydrazinylpyridazin-3-yl)sulfanylethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]-dimethylazanium Traditional Name: 2-[(6-hydrazinopyridazin-3-yl)thio]ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]-dimethyl-ammonium Formula: C18H28N5O2S+ MolecularWeight: 378.51222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[N+](C)(C)CCSC2=NN=C(C=C2)NN)O

Isomeric SMILES

CC1=CC=CC=C1OCC(C[N+](C)(C)CCSC2=NN=C(C=C2)NN)O

InChI

InChI=1S/C18H28N5O2S/c1-14-6-4-5-7-16(14)25-13-15(24)12-23(2,3)10-11-26-18-9-8-17(20-19)21-22-18/h4-9,15,24H,10-13,19H2,1-3H3,(H,20,21)/q+1