Basic information
- Standard SMILES
O=C(NC[C@H]1CCC[N+]2(CCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
HJCNABUEYUYKKX-XYXNQOFBSA-N- Molecular formula
- C41H51ClN4O4
- Average molar mass
- 699.3 g/mol
Names & identifiers
- Preferred name
- (7R)-7-({({(2R)-1-({(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)-2-pyrrolidinyl}carbonyl)-2-pyrrolidinyl}carbonyl)amino}methyl)-5-azoniaspiro[4.5]decane chloride
- IUPAC
- (2R)-N-[[(9R)-5-azoniaspiro[4.5]decan-9-yl]methyl]-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide chloride
Names & synonyms
SCHEMBL6830535HJCNABUEYUYKKX-XYXNQOFBSA-N(7R)-7-({({(2R)-1-({(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)-2-pyrrolidinyl}carbonyl)-2-pyrrolidinyl}carbonyl)amino}methyl)-5-azoniaspiro[4.5]decane chloride
Database identifiers
- PubChem CID
- 69910148
Properties
Computed structural properties
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
1 records
Compound notes
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