Isoquinoline, 1,2,3,4-tetrahydro-2-allyl-1-(4-chlorophenethyl)-6,7-dimethoxy-, hydrochloride

HCID 45558

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Basic information

CAS: 63938-06-7
Standard SMILES: C=CC[NH+]1CCc2cc(OC)c(OC)cc2C1CCc1ccc(Cl)cc1.[Cl-]
InChIKey: YMSBFNUBFGRJNW-UHFFFAOYSA-N
Molecular formula: C22H27Cl2NO2
Average molar mass: 408.4 g/mol
Monoisotopic mass: 407.1418845

Names & identifiers

Preferred name: Isoquinoline, 1,2,3,4-tetrahydro-2-allyl-1-(4-chlorophenethyl)-6,7-dimethoxy-, hydrochloride
IUPAC: 1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Names & synonyms

1-(4-Chlorophenethyl)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochlorideIsoquinoline, 1,2,3,4-tetrahydro-2-allyl-1-(4-chlorophenethyl)-6,7-dimethoxy-, hydrochloride63938-06-7RefChem:349932

Database identifiers

CAS: 63938-06-7
PubChem CID: 45558

Properties

Computed structural properties

Topological polar surface area: 22.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 438

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