Basic information
- CAS
81531-64-8- Standard SMILES
Cc1c2cc[n+](C)c(C)c2cc2c1[nH]c1ccccc12- InChIKey
OEKAAQGTAWUHFK-UHFFFAOYSA-O- Molecular formula
- C18H17N2+
- Average molar mass
- 261.3 g/mol
- Monoisotopic mass
- 261.13917355
Names & identifiers
- Preferred name
- 6H-Pyrido[4,3-b]carbazolium, 1,2,5-trimethyl-
- IUPAC
- 1,2,5-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium
Names & synonyms
6H-Pyrido[4,3-b]carbazolium, 1,2,5-trimethyl-1,2,5-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium81531-64-8NCI60_002952Neuro_000173CHEMBL1183617DTXSID60330931
Database identifiers
- CAS
81531-64-8- PubChem CID
- 433674
- DTXSID
DTXSID60330931- ChEMBL
CHEMBL1183617
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 19.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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