1-[1,3-bis[(3-octylimidazol-1-ium-1-yl)methoxy]propan-2-yloxymethyl]-3-octyl-imidazol-1-ium trichloride

Systemtic Name: 1-[1,3-bis[(3-octylimidazol-1-ium-1-yl)methoxy]propan-2-yloxymethyl]-3-octyl-imidazol-1-ium trichloride Openeye Name: 1-[2,3-bis[(3-octylimidazol-1-ium-1-yl)methoxy]propoxymethyl]-3-octyl-imidazol-1-ium trichloride CAS Name: 1-[1,3-bis[(3-octyl-1-imidazol-1-iumyl)methoxy]propan-2-yloxymethyl]-3-octylimidazol-1-ium trichloride IUPAC Name: 1-[1,3-bis[(3-octylimidazol-1-ium-1-yl)methoxy]propan-2-yloxymethyl]-3-octylimidazol-1-ium trichloride Traditional Name: 1-[2,3-bis[(3-octylimidazol-1-ium-1-yl)methoxy]propoxymethyl]-3-octyl-imidazol-1-ium trichloride Formula: C39H71Cl3N6O3 MolecularWeight: 778.37844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C[N+](=C1)COCC(COC[N+]2=CN(C=C2)CCCCCCCC)OC[N+]3=CN(C=C3)CCCCCCCC.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCN1C=C[N+](=C1)COCC(COC[N+]2=CN(C=C2)CCCCCCCC)OC[N+]3=CN(C=C3)CCCCCCCC.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C39H71N6O3.3ClH/c1-4-7-10-13-16-19-22-40-25-28-43(33-40)36-46-31-39(48-38-45-30-27-42(35-45)24-21-18-15-12-9-6-3)32-47-37-44-29-26-41(34-44)23-20-17-14-11-8-5-2;;;/h25-30,33-35,39H,4-24,31-32,36-38H2,1-3H3;3*1H/q+3;;;/p-3