7-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]heptyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium dibromide

Systemtic Name: 7-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]heptyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium dibromide Openeye Name: 7-[dimethyl-[1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]ammonio]heptyl-dimethyl-[1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]ammonium dibromide CAS Name: 7-[dimethyl-[4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-yl]ammonio]heptyl-dimethyl-[4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-yl]ammonium dibromide IUPAC Name: 7-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]heptyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium dibromide Traditional Name: 7-[dimethyl-[1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]ammonio]heptyl-dimethyl-[1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]ammonium dibromide Formula: C37H72Br2N2 MolecularWeight: 704.78898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H72N2.2BrH/c1-30-20-18-26-36(5,6)34(30)24-22-32(3)38(9,10)28-16-14-13-15-17-29-39(11,12)33(4)23-25-35-31(2)21-19-27-37(35,7)8;;/h32-33H,13-29H2,1-12H3;2*1H/q+2;;/p-2