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

Systemtic Name: 1-chloranyl-3-[3-(3-chloranyl-2-oxidanyl-propyl)-2-heptadecyl-imidazol-3-ium-1-yl]propan-2-ol sulfate Openeye Name: 1-chloro-3-[3-(3-chloro-2-hydroxy-propyl)-2-heptadecyl-imidazol-3-ium-1-yl]propan-2-ol sulfate CAS Name: 1-chloro-3-[3-(3-chloro-2-hydroxypropyl)-2-heptadecyl-1-imidazol-3-iumyl]-2-propanol sulfate IUPAC Name: 1-chloro-3-[3-(3-chloro-2-hydroxypropyl)-2-heptadecylimidazol-3-ium-1-yl]propan-2-ol sulfate Traditional Name: 1-chloro-3-[3-(3-chloro-2-hydroxy-propyl)-2-heptadecyl-imidazol-3-ium-1-yl]propan-2-ol sulfate Formula: C52H98Cl4N4O8S MolecularWeight: 1081.23352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](C=CN1CC(CCl)O)CC(CCl)O.CCCCCCCCCCCCCCCCCC1=[N+](C=CN1CC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](C=CN1CC(CCl)O)CC(CCl)O.CCCCCCCCCCCCCCCCCC1=[N+](C=CN1CC(CCl)O)CC(CCl)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C26H49Cl2N2O2.H2O4S/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-29(22-24(31)20-27)18-19-30(26)23-25(32)21-28;1-5(2,3)4/h2*18-19,24-25,31-32H,2-17,20-23H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2