1-methyl-1-[16-[1-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-ium-1-yl]hexadecyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-ium diiodide

Systemtic Name: 1-methyl-1-[16-[1-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-ium-1-yl]hexadecyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-ium diiodide Openeye Name: 1-methyl-1-[16-[1-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-ium-1-yl]hexadecyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-ium diiodide CAS Name: 1-methyl-1-[16-[1-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1-pyrrolidin-1-iumyl]hexadecyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-ium diiodide IUPAC Name: 1-methyl-1-[16-[1-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-ium-1-yl]hexadecyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-ium diiodide Traditional Name: 1-methyl-1-[16-[1-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-ium-1-yl]hexadecyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-ium diiodide Formula: C42H64F6I2N2O2 MolecularWeight: 996.769119

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1COC2=CC=C(C=C2)C(F)(F)F)CCCCCCCCCCCCCCCC[N+]3(CCCC3COC4=CC=C(C=C4)C(F)(F)F)C.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCC1COC2=CC=C(C=C2)C(F)(F)F)CCCCCCCCCCCCCCCC[N+]3(CCCC3COC4=CC=C(C=C4)C(F)(F)F)C.[I-].[I-]

InChI

InChI=1S/C42H64F6N2O2.2HI/c1-49(31-17-19-37(49)33-51-39-25-21-35(22-26-39)41(43,44)45)29-15-13-11-9-7-5-3-4-6-8-10-12-14-16-30-50(2)32-18-20-38(50)34-52-40-27-23-36(24-28-40)42(46,47)48;;/h21-28,37-38H,3-20,29-34H2,1-2H3;2*1H/q+2;;/p-2