Isoquinolinium, 3,4-dihydro-6,7-dimethoxy-2-(phenylmethyl)-, bromide

HCID 12222012

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Basic information

CAS: 5096-82-2
Standard SMILES: COc1cc2c(cc1OC)CC[N+](Cc1ccccc1)=C2.[Br-]
InChIKey: FFPQJPZLRDFYPA-UHFFFAOYSA-M
Molecular formula: C18H20BrNO2
Average molar mass: 362.3 g/mol
Monoisotopic mass: 361.06774

Names & identifiers

Preferred name: Isoquinolinium, 3,4-dihydro-6,7-dimethoxy-2-(phenylmethyl)-, bromide
IUPAC: 2-benzyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide

Names & synonyms

5096-82-2Isoquinolinium, 3,4-dihydro-6,7-dimethoxy-2-(phenylmethyl)-, bromideDTXSID004811332-benzyl-6,7-dimethoxy-3,4-dihydroisoquinolinium bromide2-BENZYL-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLIN-2-IUM BROMIDE

Database identifiers

CAS: 5096-82-2
PubChem CID: 12222012
DTXSID: DTXSID00481133

Properties

Computed structural properties

Topological polar surface area: 21.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 362

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