2-(6-chloranylpyridazin-3-yl)oxyethyl-dimethyl-[2-oxidanyl-3-(3-prop-2-enylphenoxy)propyl]azanium

Systemtic Name: 2-(6-chloranylpyridazin-3-yl)oxyethyl-dimethyl-[2-oxidanyl-3-(3-prop-2-enylphenoxy)propyl]azanium Openeye Name: [3-(3-allylphenoxy)-2-hydroxy-propyl]-[2-(6-chloropyridazin-3-yl)oxyethyl]-dimethyl-ammonium CAS Name: 2-[(6-chloro-3-pyridazinyl)oxy]ethyl-[2-hydroxy-3-(3-prop-2-enylphenoxy)propyl]-dimethylammonium IUPAC Name: 2-(6-chloropyridazin-3-yl)oxyethyl-[2-hydroxy-3-(3-prop-2-enylphenoxy)propyl]-dimethylazanium Traditional Name: [3-(3-allylphenoxy)-2-hydroxy-propyl]-[2-(6-chloropyridazin-3-yl)oxyethyl]-dimethyl-ammonium Formula: C20H27ClN3O3+ MolecularWeight: 392.89968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN3O3/c1-4-6-16-7-5-8-18(13-16)27-15-17(25)14-24(2,3)11-12-26-20-10-9-19(21)22-23-20/h4-5,7-10,13,17,25H,1,6,11-12,14-15H2,2-3H3/q+1