5H-Pyrido(4,3-b)indolium, 1,2,3,4-tetrahydro-8-carboxy-2,2-dimethyl-, iodide, ethyl ester
Basic information
- CAS
40431-46-7- Standard SMILES
CCOC(=O)c1ccc2[nH]c3c(c2c1)C[N+](C)(C)CC3.[I-]- InChIKey
BVHNWEITFHGDRD-UHFFFAOYSA-N- Molecular formula
- C16H21IN2O2
- Average molar mass
- 400.25 g/mol
- Monoisotopic mass
- 400.06478
Names & identifiers
- Preferred name
- 5H-Pyrido(4,3-b)indolium, 1,2,3,4-tetrahydro-8-carboxy-2,2-dimethyl-, iodide, ethyl ester
- IUPAC
- ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate iodide
Names & synonyms
1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester40431-46-75H-Pyrido(4,3-b)indolium, 1,2,3,4-tetrahydro-8-carboxy-2,2-dimethyl-, iodide, ethyl esterRefChem:305778
Database identifiers
- CAS
40431-46-7- PubChem CID
- 218283
Properties
Computed structural properties
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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