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

Systemtic Name: 1-chloranyl-3-[3-[3-(3-chloranyl-2-oxidanyl-propyl)-2-undecyl-imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Openeye Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxy-propyl)-2-undecyl-imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate CAS Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxypropyl)-2-undecyl-1-imidazol-3-iumyl]propylamino]-2-propanol sulfate IUPAC Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxypropyl)-2-undecylimidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Traditional Name: 1-chloro-3-[3-[3-(3-chloro-2-hydroxy-propyl)-2-undecyl-imidazol-3-ium-1-yl]propylamino]propan-2-ol sulfate Formula: C46H88Cl4N6O8S MolecularWeight: 1027.10332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[N+](C=CN1CCCNCC(CCl)O)CC(CCl)O.CCCCCCCCCCCC1=[N+](C=CN1CCCNCC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=[N+](C=CN1CCCNCC(CCl)O)CC(CCl)O.CCCCCCCCCCCC1=[N+](C=CN1CCCNCC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C23H44Cl2N3O2.H2O4S/c2*1-2-3-4-5-6-7-8-9-10-12-23-27(14-11-13-26-19-21(29)17-24)15-16-28(23)20-22(30)18-25;1-5(2,3)4/h2*15-16,21-22,26,29-30H,2-14,17-20H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2