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

Systemtic Name: [3-(2-chloranylphenoxy)-2-oxidanyl-propyl]-[2-(6-diazanylpyridazin-3-yl)sulfanylethyl]-dimethyl-azanium Openeye Name: [3-(2-chlorophenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)sulfanylethyl]-dimethyl-ammonium CAS Name: [3-(2-chlorophenoxy)-2-hydroxypropyl]-[2-[(6-hydrazinyl-3-pyridazinyl)thio]ethyl]-dimethylammonium IUPAC Name: [3-(2-chlorophenoxy)-2-hydroxypropyl]-[2-(6-hydrazinylpyridazin-3-yl)sulfanylethyl]-dimethylazanium Traditional Name: [3-(2-chlorophenoxy)-2-hydroxy-propyl]-[2-[(6-hydrazinopyridazin-3-yl)thio]ethyl]-dimethyl-ammonium Formula: C17H25ClN5O2S+ MolecularWeight: 398.9307

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCSC1=NN=C(C=C1)NN)CC(COC2=CC=CC=C2Cl)O

Isomeric SMILES

C[N+](C)(CCSC1=NN=C(C=C1)NN)CC(COC2=CC=CC=C2Cl)O

InChI

InChI=1S/C17H25ClN5O2S/c1-23(2,9-10-26-17-8-7-16(20-19)21-22-17)11-13(24)12-25-15-6-4-3-5-14(15)18/h3-8,13,24H,9-12,19H2,1-2H3,(H,20,21)/q+1