1-chloranyl-3-[3-(3-chloranyl-2-oxidanyl-propyl)-2-undecyl-imidazol-3-ium-1-yl]propan-2-ol chloride

Systemtic Name: 1-chloranyl-3-[3-(3-chloranyl-2-oxidanyl-propyl)-2-undecyl-imidazol-3-ium-1-yl]propan-2-ol chloride Openeye Name: 1-chloro-3-[3-(3-chloro-2-hydroxy-propyl)-2-undecyl-imidazol-3-ium-1-yl]propan-2-ol chloride CAS Name: 1-chloro-3-[3-(3-chloro-2-hydroxypropyl)-2-undecyl-1-imidazol-3-iumyl]-2-propanol chloride IUPAC Name: 1-chloro-3-[3-(3-chloro-2-hydroxypropyl)-2-undecylimidazol-3-ium-1-yl]propan-2-ol chloride Traditional Name: 1-chloro-3-[3-(3-chloro-2-hydroxy-propyl)-2-undecyl-imidazol-3-ium-1-yl]propan-2-ol chloride Formula: C20H37Cl3N2O2 MolecularWeight: 443.87898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[N+](C=CN1CC(CCl)O)CC(CCl)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC1=[N+](C=CN1CC(CCl)O)CC(CCl)O.[Cl-]

InChI

InChI=1S/C20H37Cl2N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-20-23(16-18(25)14-21)12-13-24(20)17-19(26)15-22;/h12-13,18-19,25-26H,2-11,14-17H2,1H3;1H/q+1;/p-1