5H-Dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-(1-methyl-2-(pyrrolidinyl)ethyl)-, hydrobromide

HCID 54097

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Basic information

CAS: 78110-16-4
Standard SMILES: C[NH+]1CCCC1CCC1(O)c2ccccc2CCc2ccccc21.[Br-]
InChIKey: HDVPXZOYSLNVDE-UHFFFAOYSA-N
Molecular formula: C22H28BrNO
Average molar mass: 402.4 g/mol
Monoisotopic mass: 401.13543

Names & identifiers

Preferred name: 5H-Dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-(1-methyl-2-(pyrrolidinyl)ethyl)-, hydrobromide
IUPAC: 2-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol bromide

Names & synonyms

10,11-Dihydro-5-(1-methyl-2-(pyrrolidinyl)ethyl)-5H-dibenzo(a,d)cyclohepten-5-ol HBr5H-Dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-(1-methyl-2-(pyrrolidinyl)ethyl)-, hydrobromide78110-16-4RefChem:305520

Database identifiers

CAS: 78110-16-4
PubChem CID: 54097

Properties

Computed structural properties

Topological polar surface area: 24.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 398

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