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

Systemtic Name: 1-chloranyl-3-[3-(3-chloranyl-2-oxidanyl-propyl)-2-undecyl-imidazol-3-ium-1-yl]propan-2-ol sulfate Openeye Name: 1-chloro-3-[3-(3-chloro-2-hydroxy-propyl)-2-undecyl-imidazol-3-ium-1-yl]propan-2-ol sulfate CAS Name: 1-chloro-3-[3-(3-chloro-2-hydroxypropyl)-2-undecyl-1-imidazol-3-iumyl]-2-propanol sulfate IUPAC Name: 1-chloro-3-[3-(3-chloro-2-hydroxypropyl)-2-undecylimidazol-3-ium-1-yl]propan-2-ol sulfate Traditional Name: 1-chloro-3-[3-(3-chloro-2-hydroxy-propyl)-2-undecyl-imidazol-3-ium-1-yl]propan-2-ol sulfate Formula: C40H74Cl4N4O8S MolecularWeight: 912.91456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H37Cl2N2O2.H2O4S/c2*1-2-3-4-5-6-7-8-9-10-11-20-23(16-18(25)14-21)12-13-24(20)17-19(26)15-22;1-5(2,3)4/h2*12-13,18-19,25-26H,2-11,14-17H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2