Basic information
- CAS
63766-34-7- Standard SMILES
COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)c2c1CCCC2[NH+]1CCCC1.[Cl-]- InChIKey
SJZFRABFXYEAEQ-UHFFFAOYSA-N- Molecular formula
- C23H31ClN2O3S
- Average molar mass
- 451 g/mol
- Monoisotopic mass
- 450.1743917
Names & identifiers
- Preferred name
- N-Benzyl-4-methoxy-N-methyl-8-(pyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide--hydrogen chloride (1/1)
- IUPAC
- N-benzyl-4-methoxy-N-methyl-8-pyrrolidin-1-ium-1-yl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide chloride
Names & synonyms
63766-34-7DTXSID70980340N-Benzyl-4-methoxy-N-methyl-8-(pyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide--hydrogen chloride (1/1)RefChem:1091594DTXCID901407618Naphthalene-8-sulfonamide, 1,2,3,4-tetrahydro-N-benzyl-5-methoxy-N-methyl-1-(1-pyrrolidinyl)-, hydrochloride, hydrate
Database identifiers
- CAS
63766-34-7- PubChem CID
- 44760
Properties
Computed structural properties
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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