Basic information
- CAS
67196-66-1- Standard SMILES
C[NH+]1CCCCC1CC=C1c2ccccc2CCc2ccccc21.O=S(=O)([O-])O- InChIKey
ZLLIFVSDYDWMFP-UHFFFAOYSA-N- Molecular formula
- C23H29NO4S
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.18172958
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(1-methyl-2-piperidyl)ethylidene)-, hydrogen sulfate
- IUPAC
- hydrogen sulfate;1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperidin-1-ium
Names & synonyms
5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(1-methyl-2-piperidyl)ethylidene)-, hydrogen sulfate67196-66-1RefChem:305549
Database identifiers
- CAS
67196-66-1- PubChem CID
- 49558
Properties
Computed structural properties
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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