Basic information
- CAS
19372-98-6- Standard SMILES
CC[NH+]1CCC2C(CCCC2OC2CCCC3C[NH+](CC)CCC32)C1.[Br-].[Br-]- InChIKey
NTQRTZZOFGXTDM-UHFFFAOYSA-N- Molecular formula
- C22H42Br2N2O
- Average molar mass
- 510.4 g/mol
- Monoisotopic mass
- 508.16639
Names & identifiers
- Preferred name
- 5,5'-Oxybis(2-ethyldecahydroisoquinoline)--hydrogen bromide (1/2)
- IUPAC
- 2-ethyl-5-[(2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-5-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium dibromide
Names & synonyms
DTXSID309410585,5'-Oxybis(2-ethyldecahydroisoquinoline)--hydrogen bromide (1/2)RefChem:1072117DTXCID801369506ISOQUINOLINE, 5,5'-OXYBIS(DECAHYDRO-2-ETHYL-, DIHYDROBROMIDE2-ethyl-5-[(2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-5-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium;dibromideM-7aOxybis(decahydro-2-ethylisoquinoline) dihydrobromide
Database identifiers
- CAS
19372-98-6- PubChem CID
- 29558
Properties
Computed structural properties
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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