[3-(5-chloranyl-2-cyano-phenoxy)-2-oxidanyl-propyl]-[2-(6-diazanylpyridazin-3-yl)oxyethyl]-dimethyl-azanium

Systemtic Name: [3-(5-chloranyl-2-cyano-phenoxy)-2-oxidanyl-propyl]-[2-(6-diazanylpyridazin-3-yl)oxyethyl]-dimethyl-azanium Openeye Name: [3-(5-chloro-2-cyano-phenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium CAS Name: [3-(5-chloro-2-cyanophenoxy)-2-hydroxypropyl]-[2-[(6-hydrazinyl-3-pyridazinyl)oxy]ethyl]-dimethylammonium IUPAC Name: [3-(5-chloro-2-cyanophenoxy)-2-hydroxypropyl]-[2-(6-hydrazinylpyridazin-3-yl)oxyethyl]-dimethylazanium Traditional Name: [3-(5-chloro-2-cyano-phenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium Formula: C18H24ClN6O3+ MolecularWeight: 407.87456

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC1=NN=C(C=C1)NN)CC(COC2=C(C=CC(=C2)Cl)C#N)O

Isomeric SMILES

C[N+](C)(CCOC1=NN=C(C=C1)NN)CC(COC2=C(C=CC(=C2)Cl)C#N)O

InChI

InChI=1S/C18H24ClN6O3/c1-25(2,7-8-27-18-6-5-17(22-21)23-24-18)11-15(26)12-28-16-9-14(19)4-3-13(16)10-20/h3-6,9,15,26H,7-8,11-12,21H2,1-2H3,(H,22,23)/q+1