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

HCID 45504

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Basic information

CAS: 63937-70-2
Standard SMILES: COc1cc2c(cc1OC)C(Cc1ccc(Cl)cc1)[NH+](C)CC2.[Br-]
InChIKey: AYJWJSMTNUGAJG-UHFFFAOYSA-N
Molecular formula: C19H23BrClNO2
Average molar mass: 412.7 g/mol
Monoisotopic mass: 411.06007

Names & identifiers

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

Names & synonyms

Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorobenzyl)-6,7-dimethoxy-2-methyl-, hydrobromide1-(4-Chlorobenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrobromideIsoquinoline, 1-(4-chlorobenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-, hydrobromide63937-70-2RefChem:349900

Database identifiers

CAS: 63937-70-2
PubChem CID: 45504

Properties

Computed structural properties

Topological polar surface area: 22.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 372

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