Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate

HCID 43571

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 61189-94-4
Standard SMILES: COc1cc2c[nH+]cc(Cc3cc(OC)c(OC)c(OC)c3)c2cc1OC.CS(=O)(=O)[O-]
InChIKey: BFHKEYVSEXRSNV-UHFFFAOYSA-N
Molecular formula: C22H27NO8S
Average molar mass: 465.5 g/mol
Monoisotopic mass: 465.14573799

Names & identifiers

Preferred name: Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate
IUPAC: 6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium;methanesulfonate

Names & synonyms

6,7-Dimethoxy-4-(3,4,5-trimethoxybenzyl)isoquinoline methanesulfonate61189-94-4ISOQUINOLINE, 6,7-DIMETHOXY-4-(3,4,5-TRIMETHOXYBENZYL)-, METHANESULFONATERefChem:350051

Database identifiers

CAS: 61189-94-4
PubChem CID: 43571

Properties

Computed structural properties

Topological polar surface area: 126 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 516

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…