8-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]octyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide

Systemtic Name: 8-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]octyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide Openeye Name: 8-[dimethyl-[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonio]octyl-dimethyl-[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonium dibromide CAS Name: 8-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]ammonio]octyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]ammonium dibromide IUPAC Name: 8-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]octyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide Traditional Name: 8-[dimethyl-[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonio]octyl-dimethyl-[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonium dibromide Formula: C38H78Br2N2 MolecularWeight: 722.84732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H78N2.2BrH/c1-31-21-19-27-37(5,6)35(31)25-23-33(3)39(9,10)29-17-15-13-14-16-18-30-40(11,12)34(4)24-26-36-32(2)22-20-28-38(36,7)8;;/h31-36H,13-30H2,1-12H3;2*1H/q+2;;/p-2