6-[dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azanium dibromide

Systemtic Name: 6-[dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azanium dibromide Openeye Name: 6-[dimethyl-[1-methyl-3-(2,2,3,6-tetramethylcyclohexyl)propyl]ammonio]hexyl-dimethyl-[1-methyl-3-(2,2,3,6-tetramethylcyclohexyl)propyl]ammonium dibromide CAS Name: 6-[dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]ammonio]hexyl-dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]ammonium dibromide IUPAC Name: 6-[dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azanium dibromide Traditional Name: 6-[dimethyl-[1-methyl-3-(2,2,3,6-tetramethylcyclohexyl)propyl]ammonio]hexyl-dimethyl-[1-methyl-3-(2,2,3,6-tetramethylcyclohexyl)propyl]ammonium dibromide Formula: C38H78Br2N2 MolecularWeight: 722.84732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(CCC(C2(C)C)C)C)(C)C)C.[Br-].[Br-]

Isomeric SMILES

CC1CCC(C(C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(CCC(C2(C)C)C)C)(C)C)C.[Br-].[Br-]

InChI

InChI=1S/C38H78N2.2BrH/c1-29-19-21-31(3)37(7,8)35(29)25-23-33(5)39(11,12)27-17-15-16-18-28-40(13,14)34(6)24-26-36-30(2)20-22-32(4)38(36,9)10;;/h29-36H,15-28H2,1-14H3;2*1H/q+2;;/p-2