6-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]hexyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium dibromide

Systemtic Name: 6-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]hexyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium dibromide Openeye Name: 6-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]ammonio]hexyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]ammonium dibromide CAS Name: 6-[dimethyl-[2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)butyl]ammonio]hexyl-dimethyl-[2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)butyl]ammonium dibromide IUPAC Name: 6-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]hexyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium dibromide Traditional Name: 6-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]ammonio]hexyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]ammonium dibromide Formula: C38H74Br2N2 MolecularWeight: 718.81556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CCC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)CCC2=C(CCCC2(C)C)C.[Br-].[Br-]

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CCC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)CCC2=C(CCCC2(C)C)C.[Br-].[Br-]

InChI

InChI=1S/C38H74N2.2BrH/c1-31(21-23-35-33(3)19-17-25-37(35,5)6)29-39(9,10)27-15-13-14-16-28-40(11,12)30-32(2)22-24-36-34(4)20-18-26-38(36,7)8;;/h31-32H,13-30H2,1-12H3;2*1H/q+2;;/p-2