Isoquinolinium, 1-[[4-[5-[(6,7-dimethoxy-2-methyl-1-isoquinoliniumyl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-, dichloride

HCID 73052

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 22297-48-9
Standard SMILES: COc1cc2cc[n+](C)c(Cc3ccc(Oc4cc(Cc5c6cc(OC)c(OC)cc6cc[n+]5C)ccc4OC)cc3)c2cc1OC.[Cl-].[Cl-]
InChIKey: ATHVKCMBCNQGIZ-UHFFFAOYSA-L
Molecular formula: C39H40Cl2N2O6
Average molar mass: 703.6 g/mol
Monoisotopic mass: 702.2263424

Names & identifiers

Preferred name: Isoquinolinium, 1-[[4-[5-[(6,7-dimethoxy-2-methyl-1-isoquinoliniumyl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-, dichloride
IUPAC: 1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium dichloride

Names & synonyms

22297-48-9Phaentharine chlorideNSC324042NSC-324042NSC 324042Isoquinolinium, 1-[[4-[5-[(6,7-dimethoxy-2-methyl-1-isoquinoliniumyl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-, dichloridePheantharine dichloridePhaeantharine dichlorideCHEMBL33918858Z27RY9P58Isoquinolinium, 1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolinium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-, dichloride

Database identifiers

CAS: 22297-48-9
PubChem CID: 73052
ChEMBL: CHEMBL3391885
UNII: 8Z27RY9P58

Properties

Computed structural properties

Topological polar surface area: 63.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 11
Heavy atoms: 49
Formal charge: 0
Complexity: 948

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…