Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-, chloride

HCID 22668

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Basic information

CAS: 6274-99-3
Standard SMILES: COc1cc2c(cc1OC)C[N+](C)(C)CC2.[Cl-]
InChIKey: CKUAAIFYQGZEGE-UHFFFAOYSA-M
Molecular formula: C13H20ClNO2
Average molar mass: 257.75 g/mol
Monoisotopic mass: 257.1182566

Names & identifiers

Preferred name: Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-, chloride
IUPAC: 6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium chloride

Names & synonyms

6274-99-3ISOQUINOLINIUM, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYL-, CHLORIDERefChem:10877931,2,3,4-Tetrahydro-6,7-dimethoxy-2,2-dimethylisoquinolinium chlorideNSC 33529DTXSID70978383NSC33529NSC-335296,7-Dimethoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Database identifiers

CAS: 6274-99-3
PubChem CID: 22668
DTXSID: DTXSID70978383

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 242

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