Compound C21H23BrN2O3

7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide

CAS: 54971-36-7

Molecular Formula	`C21H23BrN2O3`
Molecular Weight	431.3 g/mol
Topological Polar Surface Area	50.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	430.0892
Heavy Atoms	27
Complexity	576.0

Chemical Identifiers

CAS Number	54971-36-7
SMILES	`CCC1C(=O)NC2=CC=CC=C2C3=[N+]1CCC4=CC(=C(C=C43)OC)OC.[Br-]`
InChIKey	`PJQKUXJLYYANJH-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H23BrN2O3 (CAS: 54971-36-7) is a chemical compound with molecular formula C21H23BrN2O3 and molecular weight 431.3 g/mol. Its IUPAC systematic name is 7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide. Topological Polar Surface Area 50.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 430.0892 Heavy Atoms 27 Complexity 576.0 InChI Key: PJQKUXJLYYANJH-UHFFFAOYSA-N. SMILES: CCC1C(=O)NC2=CC=CC=C2C3=[N+]1CCC4=CC(=C(C=C43)OC)OC.[Br-].

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