Basic information
- Standard SMILES
O=C(C[N+]12CCC(CC1)C(OC(=O)C1(c3ccccc3)CCCCCC1)C2)Nc1noc2ccccc12- InChIKey
VDFJURJEIWWHOJ-UHFFFAOYSA-O- Molecular formula
- C30H36N3O4+
- Average molar mass
- 502.6 g/mol
Names & identifiers
- Preferred name
- [1-[2-(1,2-Benzoxazol-3-ylamino)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate
- IUPAC
- [1-[2-(1,2-benzoxazol-3-ylamino)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate
Database identifiers
- PubChem CID
- 76006907
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 1
- Complexity
- 812
Related reactions
1 records
Compound notes
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