Basic information
- CAS
5265-10-1- Standard SMILES
CCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1- InChIKey
IGYWKDJUZWIBNJ-UHFFFAOYSA-O- Molecular formula
- C25H29N2O3+
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.21781779
Names & identifiers
- Preferred name
- 2-[(Hexanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6h-pyrido[4,3-b]carbazol-2-ium
- IUPAC
- (9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl hexanoate
Names & synonyms
5265-10-12-[(hexanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6h-pyrido[4,3-b]carbazol-2-iumNCI60_012303CHEMBL2007757DTXSID80327202
Database identifiers
- CAS
5265-10-1- PubChem CID
- 367404
- DTXSID
DTXSID80327202- ChEMBL
CHEMBL2007757
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 1
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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