1-Benzyl-6,7-dimethoxy-2-methyl-2lambda(5)-isoquinoline

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Basic information

CAS: 5833-04-5
Standard SMILES: COc1cc2cc[n+](C)c(Cc3ccccc3)c2cc1OC
InChIKey: IABYMOPVGIZIMO-UHFFFAOYSA-N
Molecular formula: C19H20NO2+
Average molar mass: 294.4 g/mol
Monoisotopic mass: 294.14940388

Names & identifiers

Preferred name: 1-Benzyl-6,7-dimethoxy-2-methyl-2lambda(5)-isoquinoline
IUPAC: 1-benzyl-6,7-dimethoxy-2-methylisoquinolin-2-ium

Names & synonyms

1-Benzyl-6,7-dimethoxy-2-methyl-2lambda(5)-isoquinoline5833-04-5NSC 168209NSC1682091-benzyl-6,7-dimethoxy-2-methylisoquinolin-2-iumCHEMBL2009985DTXSID50207062NCI60_0013321-benzyl-6,7-dimethoxy-2-methyl-isoquinolin-2-ium1-Benzyl-6,7-dimethoxy-2-methyl-2.lambda.~5~-isoquinolineIsoquinolinium, 6,7-dimethoxy-2-methyl-1-(phenylmethyl)-, iodide

Database identifiers

CAS: 5833-04-5
PubChem CID: 494159
DTXSID: DTXSID50207062
ChEMBL: CHEMBL2009985

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 22.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 1
Complexity: 342

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Compound notes

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