9H-Pyrido(3,4-b)indolium, 1,2,9-trimethyl-
Basic information
- CAS
37689-97-7- Standard SMILES
Cc1c2c(cc[n+]1C)c1ccccc1n2C- InChIKey
PTTHPPCERWUFON-UHFFFAOYSA-N- Molecular formula
- C14H15N2+
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.12352349
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indolium, 1,2,9-trimethyl-
- IUPAC
- 1,2,9-trimethylpyrido[3,4-b]indol-2-ium
Names & synonyms
37689-97-79H-Pyrido(3,4-b)indolium, 1,2,9-trimethyl-1,2,9-Trimethyl-9H-pyrido(3,4-b)indoliumCHEMBL3590771,2,9-TRIMETHYL-9H-PYRIDO[3,4-B]INDOL-2-IUMSCHEMBL17691439DTXSID40191128
Database identifiers
- CAS
37689-97-7- PubChem CID
- 181539
- DTXSID
DTXSID40191128- ChEMBL
CHEMBL359077- Nikkaji
- J794.946D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 8.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 265
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…