Isoquinoline, 3,4-dihydro-3-(o-chlorobenzyl)-6,7-dimethoxy-1-methyl-, hydrobromide

HCID 42425

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Basic information

CAS: 57543-34-7
Standard SMILES: COc1cc2c(cc1OC)C(C)=[NH+]C(Cc1ccccc1Cl)C2.[Br-]
InChIKey: IGVBLOYYYISMEA-UHFFFAOYSA-N
Molecular formula: C19H21BrClNO2
Average molar mass: 410.7 g/mol
Monoisotopic mass: 409.04442

Names & identifiers

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

Names & synonyms

Isoquinoline, 3,4-dihydro-3-(o-chlorobenzyl)-6,7-dimethoxy-1-methyl-, hydrobromide57543-34-73-(o-Chlorobenzyl)-3,4-dihydro-6,7-dimethoxy-1-methylisoquinoline hydrobromideIsoquinoline, 3-(o-chlorobenzyl)-3,4-dihydro-6,7-dimethoxy-1-methyl-, hydrobromideRefChem:350014

Database identifiers

CAS: 57543-34-7
PubChem CID: 42425

Properties

Computed structural properties

Topological polar surface area: 32.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 428

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