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Basic information
- Standard SMILES
Cc1ccc(NC(=O)C[N+]23CCC(CC2)C(OC(=O)C2(c4ccccc4)CCCCCC2)C3)cn1- InChIKey
DGYXUBXPMBVTPU-UHFFFAOYSA-O- Molecular formula
- C29H38N3O3+
- Average molar mass
- 476.6 g/mol
Names & identifiers
- Preferred name
- [1-[2-[(6-Methyl-3-pyridinyl)amino]-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate
- IUPAC
- [1-[2-[(6-methyl-3-pyridinyl)amino]-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate
Database identifiers
- PubChem CID
- 76007358
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 1
- Complexity
- 733
Related reactions
1 records
Compound notes
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