Ammonium, trimethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, dihydrate

HCID 48073

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Basic information

CAS: 66827-34-7
Standard SMILES: CC1=C(CCC(C)[N+](C)(C)CCC[N+](C)(C)C(C)CCC2=C(C)CCCC2(C)C)C(C)(C)CCC1.[Br-].[Br-]
InChIKey: FATOUCXKYXMOKY-UHFFFAOYSA-L
Molecular formula: C33H64Br2N2
Average molar mass: 648.7 g/mol
Monoisotopic mass: 646.34363

Names & identifiers

Preferred name: Ammonium, trimethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, dihydrate
IUPAC: 3-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]propyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium dibromide

Names & synonyms

66827-34-7Ammonium, trimethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, dihydrateRefChem:319485DTXSID90985397N~1~,N~1~,N~3~,N~3~-Tetramethyl-N~1~,N~3~-bis[4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-yl]propane-1,3-bis(aminium) dibromide

Database identifiers

CAS: 66827-34-7
PubChem CID: 48073
DTXSID: DTXSID90985397

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 12
Heavy atoms: 37
Formal charge: 0
Complexity: 698

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