Basic information
- CAS
7345-43-9- Standard SMILES
[Cl-].c1ccc(C[NH+]2C3=C(CCNCC3)c3ccccc32)cc1- InChIKey
WHPHIFMPUDPVGE-UHFFFAOYSA-N- Molecular formula
- C19H21ClN2
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.1393264
Names & identifiers
- Preferred name
- Azepino(4,5-b)indole, 6-benzyl-1,2,3,4,5,6-hexahydro-, monohydrochloride
- IUPAC
- 6-benzyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-6-ium chloride
Names & synonyms
AZEPINO(4,5-b)INDOLE, 6-BENZYL-1,2,3,4,5,6-HEXAHYDRO-, MONOHYDROCHLORIDE7345-43-9RefChem:10774006-Benzyl-1,2,3,4,5,6-hexahydro-azepino(4,5-b)indole hydrochlorideAzepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-6-benzyl-, hydrochloride
Database identifiers
- CAS
7345-43-9- PubChem CID
- 23770
Properties
Computed structural properties
- Topological polar surface area
- 16.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…