4-[2,6-dimethyl-2-(2-methylpropyl)cyclohexyl]butan-2-yl-[6-[4-[2,6-dimethyl-2-(2-methylpropyl)cyclohexyl]butan-2-yl-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dibromide

Systemtic Name: 4-[2,6-dimethyl-2-(2-methylpropyl)cyclohexyl]butan-2-yl-[6-[4-[2,6-dimethyl-2-(2-methylpropyl)cyclohexyl]butan-2-yl-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dibromide Openeye Name: [3-(2-isobutyl-2,6-dimethyl-cyclohexyl)-1-methyl-propyl]-[6-[[3-(2-isobutyl-2,6-dimethyl-cyclohexyl)-1-methyl-propyl]-dimethyl-ammonio]hexyl]-dimethyl-ammonium dibromide CAS Name: 4-[2,6-dimethyl-2-(2-methylpropyl)cyclohexyl]butan-2-yl-[6-[4-[2,6-dimethyl-2-(2-methylpropyl)cyclohexyl]butan-2-yl-dimethylammonio]hexyl]-dimethylammonium dibromide IUPAC Name: 4-[2,6-dimethyl-2-(2-methylpropyl)cyclohexyl]butan-2-yl-[6-[4-[2,6-dimethyl-2-(2-methylpropyl)cyclohexyl]butan-2-yl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide Traditional Name: [3-(2-isobutyl-2,6-dimethyl-cyclohexyl)-1-methyl-propyl]-[6-[[3-(2-isobutyl-2,6-dimethyl-cyclohexyl)-1-methyl-propyl]-dimethyl-ammonio]hexyl]-dimethyl-ammonium dibromide Formula: C42H86Br2N2 MolecularWeight: 778.95364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(CCCC2(C)CC(C)C)C)(C)CC(C)C.[Br-].[Br-]

Isomeric SMILES

CC1CCCC(C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(CCCC2(C)CC(C)C)C)(C)CC(C)C.[Br-].[Br-]

InChI

InChI=1S/C42H86N2.2BrH/c1-33(2)31-41(9)27-19-21-35(5)39(41)25-23-37(7)43(11,12)29-17-15-16-18-30-44(13,14)38(8)24-26-40-36(6)22-20-28-42(40,10)32-34(3)4;;/h33-40H,15-32H2,1-14H3;2*1H/q+2;;/p-2