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

Systemtic Name: 2-(6-chloranylpyridazin-3-yl)oxyethyl-dimethyl-[2-oxidanyl-3-[2-(2-prop-2-enoxyethyl)phenoxy]propyl]azanium Openeye Name: [3-[2-(2-allyloxyethyl)phenoxy]-2-hydroxy-propyl]-[2-(6-chloropyridazin-3-yl)oxyethyl]-dimethyl-ammonium CAS Name: 2-[(6-chloro-3-pyridazinyl)oxy]ethyl-[2-hydroxy-3-[2-(2-prop-2-enoxyethyl)phenoxy]propyl]-dimethylammonium IUPAC Name: 2-(6-chloropyridazin-3-yl)oxyethyl-[2-hydroxy-3-[2-(2-prop-2-enoxyethyl)phenoxy]propyl]-dimethylazanium Traditional Name: [3-[2-(2-allyloxyethyl)phenoxy]-2-hydroxy-propyl]-[2-(6-chloropyridazin-3-yl)oxyethyl]-dimethyl-ammonium Formula: C22H31ClN3O4+ MolecularWeight: 436.95224

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC1=NN=C(C=C1)Cl)CC(COC2=CC=CC=C2CCOCC=C)O

Isomeric SMILES

C[N+](C)(CCOC1=NN=C(C=C1)Cl)CC(COC2=CC=CC=C2CCOCC=C)O

InChI

InChI=1S/C22H31ClN3O4/c1-4-13-28-14-11-18-7-5-6-8-20(18)30-17-19(27)16-26(2,3)12-15-29-22-10-9-21(23)24-25-22/h4-10,19,27H,1,11-17H2,2-3H3/q+1