Isoquinoline, 3,4-dihydro-3-(o-chlorobenzyl)-6,7-dimethoxy-, hydrobromide

HCID 42420

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Basic information

CAS: 57543-14-3
Standard SMILES: COc1cc2c(cc1OC)CC(Cc1ccccc1Cl)[NH+]=C2.[Br-]
InChIKey: WHONTKHOMUSXEQ-UHFFFAOYSA-N
Molecular formula: C18H19BrClNO2
Average molar mass: 396.7 g/mol
Monoisotopic mass: 395.02877

Names & identifiers

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

Names & synonyms

ISOQUINOLINE, 3,4-DIHYDRO-3-(o-CHLOROBENZYL)-6,7-DIMETHOXY-, HYDROBROMIDE57543-14-33-(o-Chlorobenzyl)-3,4-dihydro-6,7-dimethoxyisoquinoline hydrobromideIsoquinoline, 3-(o-chlorobenzyl)-3,4-dihydro-6,7-dimethoxy-, hydrobromideRefChem:350013

Database identifiers

CAS: 57543-14-3
PubChem CID: 42420

Properties

Computed structural properties

Topological polar surface area: 32.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 389

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