Compound C20H21BrN2O3

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

CAS: 54971-35-6

Molecular Formula	`C20H21BrN2O3`
Molecular Weight	417.3 g/mol
Topological Polar Surface Area	50.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	416.07355
Heavy Atoms	26
Complexity	561.0

Chemical Identifiers

CAS Number	54971-35-6
SMILES	`CC1C(=O)NC2=CC=CC=C2C3=[N+]1CCC4=CC(=C(C=C43)OC)OC.[Br-]`
InChIKey	`BVWNPZVOXXZLEM-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H21BrN2O3 (CAS: 54971-35-6) is a chemical compound with molecular formula C20H21BrN2O3 and molecular weight 417.3 g/mol. Its IUPAC systematic name is 12,13-dimethoxy-7-methyl-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 2 Exact Mass 416.07355 Heavy Atoms 26 Complexity 561.0 InChI Key: BVWNPZVOXXZLEM-UHFFFAOYSA-N. SMILES: CC1C(=O)NC2=CC=CC=C2C3=[N+]1CCC4=CC(=C(C=C43)OC)OC.[Br-].

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