Isoquinoline, 1,2,3,4-tetrahydro-2-(o-chlorobenzyl)-6,7-dimethoxy-, hydrobromide

HCID 35932

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Basic information

CAS: 31772-98-2
Standard SMILES: COc1cc2c(cc1OC)C[NH+](Cc1ccccc1Cl)CC2.[Br-]
InChIKey: HYGJFMSGALYTQA-UHFFFAOYSA-N
Molecular formula: C18H21BrClNO2
Average molar mass: 398.7 g/mol
Monoisotopic mass: 397.04442

Names & identifiers

Preferred name: Isoquinoline, 1,2,3,4-tetrahydro-2-(o-chlorobenzyl)-6,7-dimethoxy-, hydrobromide
IUPAC: 2-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide

Names & synonyms

31772-98-2ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-(o-CHLOROBENZYL)-6,7-DIMETHOXY-, HYDROBROMIDERefChem:10877172-(o-Chlorobenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrobromide

Database identifiers

CAS: 31772-98-2
PubChem CID: 35932

Properties

Computed structural properties

Topological polar surface area: 22.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 354

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