Basic information
- CAS
6377-14-6- Standard SMILES
COc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)[NH+](C)CC3.[Cl-]- InChIKey
NIWCFXFECXNXGD-PFEQFJNWSA-N- Molecular formula
- C18H20ClNO2
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.1182566
Overview
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Names & identifiers
- Preferred name
- (6aR)-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol chloride
- IUPAC
- (6aR)-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol chloride
Database identifiers
- CAS
6377-14-6- PubChem CID
- 22872
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
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Compound notes
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