[3-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]-2-oxidanyl-propyl]-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride

Systemtic Name: [3-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]-2-oxidanyl-propyl]-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride Openeye Name: [3-[dimethyl-[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonio]-2-hydroxy-propyl]-dimethyl-[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonium dichloride CAS Name: [3-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]ammonio]-2-hydroxypropyl]-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]ammonium dichloride IUPAC Name: [3-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]-2-hydroxypropyl]-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride Traditional Name: [3-[dimethyl-[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonio]-2-hydroxy-propyl]-dimethyl-[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonium dichloride Formula: C33H68Cl2N2O MolecularWeight: 579.81182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1CCC(C)[N+](C)(C)CC(C[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)O)(C)C.[Cl-].[Cl-]

Isomeric SMILES

CC1CCCC(C1CCC(C)[N+](C)(C)CC(C[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)O)(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C33H68N2O.2ClH/c1-25-15-13-21-32(5,6)30(25)19-17-27(3)34(9,10)23-29(36)24-35(11,12)28(4)18-20-31-26(2)16-14-22-33(31,7)8;;/h25-31,36H,13-24H2,1-12H3;2*1H/q+2;;/p-2