Compound C25H28ClNO5

2-benzyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride

CAS: 79677-06-8

Molecular Formula	`C25H28ClNO5`
Molecular Weight	457.9 g/mol
Topological Polar Surface Area	72.6 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	457.1656
Heavy Atoms	32
Complexity	542.0

Chemical Identifiers

CAS Number	79677-06-8
SMILES	`COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)C(C[NH+]2CC4=CC=CC=C4)O.[Cl-]`
InChIKey	`TVRBNZIOPHXBKR-UHFFFAOYSA-N`

📖 Product Overview

Compound C25H28ClNO5 (CAS: 79677-06-8) is a chemical compound with molecular formula C25H28ClNO5 and molecular weight 457.9 g/mol. Its IUPAC systematic name is 2-benzyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride. Topological Polar Surface Area 72.6 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 457.1656 Heavy Atoms 32 Complexity 542.0 InChI Key: TVRBNZIOPHXBKR-UHFFFAOYSA-N. SMILES: COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)C(C[NH+]2CC4=CC=CC=C4)O.[Cl-].

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