Basic information
- CAS
62960-85-4- Standard SMILES
CC(=O)OCC1CC[N+]2(CCCCCCCCCC[N+]34CCCC3C(COC(C)=O)CC4)CCCC12.[Br-].[Br-]- InChIKey
CYALGGXROVKVAK-UHFFFAOYSA-L- Molecular formula
- C30H54Br2N2O4
- Average molar mass
- 666.6 g/mol
- Monoisotopic mass
- 664.24503
Names & identifiers
- Preferred name
- 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, diacetate, (1R-trans)-
- IUPAC
- [4-[10-[1-(acetyloxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl acetate dibromide
Names & synonyms
1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, diacetate, (1R-trans)-62960-85-4RefChem:1058558Lindelofidinium, 4,4'-(1,10-decamethylene)bis-, dibromide, diacetate
Database identifiers
- CAS
62960-85-4- PubChem CID
- 3047148
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 670
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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