1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromidedicrotonate, (1R-trans)-
Basic information
- CAS
62913-14-8- Standard SMILES
C/C=C/C(=O)OC[C@@H]1CC[N+]2(CCCCCCCCCC[N+]34CCC[C@@H]3[C@H](COC(=O)/C=C/C)CC4)CCC[C@H]12.[Br-].[Br-]- InChIKey
NWYICMPXVSOWKN-OEKLOMRBSA-L- Molecular formula
- C34H58Br2N2O4
- Average molar mass
- 718.6 g/mol
- Monoisotopic mass
- 716.27633
Names & identifiers
- Preferred name
- 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromidedicrotonate, (1R-trans)-
- IUPAC
- [(1R,8R)-4-[10-[(1R,8R)-1-[[(E)-but-2-enoyl]oxymethyl]-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 (E)-but-2-enoate dibromide
Names & synonyms
1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromidedicrotonate, (1R-trans)-62913-14-8RefChem:1058560Lendelofidinium, 4,4'-(1,10-decamethylene)bis-, dibromide dicrotonate
Database identifiers
- CAS
62913-14-8- PubChem CID
- 6446575
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 802
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Compound notes
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