Isoquinoline, 3,4-dihydro-6,7-dimethoxy-3-methyl-, hydrochloride

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Basic information

CAS: 5884-29-7
Standard SMILES: COc1cc2c(cc1OC)CC(C)[NH+]=C2.[Cl-]
InChIKey: CNSFEYAWSFOOSN-UHFFFAOYSA-N
Molecular formula: C12H16ClNO2
Average molar mass: 241.71 g/mol
Monoisotopic mass: 241.0869564

Names & identifiers

Preferred name: Isoquinoline, 3,4-dihydro-6,7-dimethoxy-3-methyl-, hydrochloride
IUPAC: 6,7-dimethoxy-3-methyl-3,4-dihydroisoquinolin-2-ium chloride
English name: 6,7-Dimethoxy-3-methyl-3,4-dihydroisoquinoline hydrochloride
Molecular formula: C12H16ClNO2
Molecular weight: 241.71

Names & synonyms

5884-29-7ISOQUINOLINE, 3,4-DIHYDRO-6,7-DIMETHOXY-3-METHYL-, HYDROCHLORIDERefChem:1087771NSC 363943,4-Dihydro-6,7-dimethoxy-3-methylisoquinoline hydrochloride6,7-Dimethoxy-3-methyl-3,4-dihydroisoquinoline hydrochloride

Database identifiers

CAS: 5884-29-7
PubChem CID: 22177

Properties

Computed structural properties

Topological polar surface area: 32.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 242

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Compound notes

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