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

Systemtic Name: 4-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium; 4-methylbenzenesulfonate Openeye Name: 4-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]ammonio]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]ammonium; 4-methylbenzenesulfonate CAS Name: 4-[dimethyl-[2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)butyl]ammonio]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)butyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: 4-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium; 4-methylbenzenesulfonate Traditional Name: 4-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]ammonio]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]ammonium ditosylate Formula: C50H84N2O6S2 MolecularWeight: 873.34176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CCC(C)C[N+](C)(C)CCCC[N+](C)(C)CC(C)CCC2=C(CCCC2(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CCC(C)C[N+](C)(C)CCCC[N+](C)(C)CC(C)CCC2=C(CCCC2(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C36H70N2.2C7H8O3S/c1-29(19-21-33-31(3)17-15-23-35(33,5)6)27-37(9,10)25-13-14-26-38(11,12)28-30(2)20-22-34-32(4)18-16-24-36(34,7)8;2*1-6-2-4-7(5-3-6)11(8,9)10/h29-30H,13-28H2,1-12H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2