Basic information
- CAS
5585-71-7- Standard SMILES
C1=C(CCc2ccncc2)c2ccccc2[NH+]1Cc1ccccc1.[Cl-]- InChIKey
FPHIGGMDBMWPDB-UHFFFAOYSA-N- Molecular formula
- C22H21ClN2
- Average molar mass
- 348.9 g/mol
- Monoisotopic mass
- 348.1393264
Overview
See also: Benzindopyrine Hydrochloride (preferred).
Names & identifiers
- Preferred name
- Benzindopyrinehydrochlorid
- IUPAC
- 1-benzyl-3-(2-pyridin-4-ylethyl)-1H-indol-1-ium chloride
Names & synonyms
benzindopyrinehydrochloridD02637
Database identifiers
- CAS
5585-71-7- PubChem CID
- 21769
Properties
Computed structural properties
- Topological polar surface area
- 17.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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