Basic information
- Standard SMILES
C=CC[C@@]1(CC)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)[N+]2=C1OC[C@@H]2CC.CS(=O)(=O)[O-]- InChIKey
AKAHGRZFDUNQGY-APANBFMNSA-M- Molecular formula
- C27H33Cl2NO4S
- Average molar mass
- 538.5 g/mol
Names & identifiers
- Preferred name
- (3S,5S,6R,8S)-8-Allyl-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3,8-diethyl-2,3,5,6,7,8-hexahydrooxazolo[3,2-a]pyridin-4-ium methanesulfonate
- IUPAC
- (3S,5S,6R,8S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3,8-diethyl-8-prop-2-enyl-3,5,6,7-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-4-ium;methanesulfonate
Names & synonyms
SCHEMBL9992137AKAHGRZFDUNQGY-APANBFMNSA-M(3S,5S,6R,8S)-8-Allyl-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3,8-diethyl-2,3,5,6,7,8-hexahydrooxazolo[3,2-a]pyridin-4-ium methanesulfonate
Database identifiers
- PubChem CID
- 86660742
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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