Quinuclidinium, 3-benzyl-1-(7-(1-methylpiperidinio)heptyl)-, dibromide
Basic information
- CAS
19653-55-5- Standard SMILES
C[N+]1(CCCCCCC[N+]23CCC(CC2)C(Cc2ccccc2)C3)CCCCC1.[Br-].[Br-]- InChIKey
XHYMGLOHGGOQMQ-UHFFFAOYSA-L- Molecular formula
- C27H46Br2N2
- Average molar mass
- 558.5 g/mol
- Monoisotopic mass
- 556.20277
Names & identifiers
- Preferred name
- Quinuclidinium, 3-benzyl-1-(7-(1-methylpiperidinio)heptyl)-, dibromide
- IUPAC
- 3-benzyl-1-[7-(1-methylpiperidin-1-ium-1-yl)heptyl]-1-azoniabicyclo[2.2.2]octane dibromide
- English name
- 8-benzyl-1-[7-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)heptyl]-1-a zoniabicyclo[2.2.2]octane dibromide
- Molecular formula
- C27H46BrN2+
- Molecular weight
- 478.58
Names & synonyms
19653-55-53-Benzyl-1-(7-(1-methylpiperidinio)heptyl)quinuclidinium, dibromideQuinuclidinium, 3-benzyl-1-(7-(1-methylpiperidinio)heptyl)-, dibromideRefChem:378960DTXSID709414163-benzyl-1-[7-(1-methylpiperidin-1-ium-1-yl)heptyl]-1-azoniabicyclo[2.2.2]octane;dibromide8-benzyl-1-[7-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)heptyl]-1-a zoniabicyclo[2.2.2]octane dib3-BENZYL-1-[7-(1-METHYLPIPERIDIN-1-IUM-1-YL)HEPTYL]-1-AZABICYCLO[2.2.2]OCTAN-1-IUM DIBROMIDE8-benzyl-1-[7-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)heptyl]-1-a zoniabicyclo[2.2.2]octane dibromide
Database identifiers
- CAS
19653-55-5- PubChem CID
- 209271
- DTXSID
DTXSID70941416
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 467
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