Compound C21H27ClN2O4

2-chloro-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole;2-hydroxy-2-oxoacetate

CAS: 41734-64-9

Molecular Formula	`C21H27ClN2O4`
Molecular Weight	406.9 g/mol
Topological Polar Surface Area	86.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	406.16592
Heavy Atoms	28
Complexity	446.0

Chemical Identifiers

CAS Number	41734-64-9
SMILES	`C1CCC2=C(CC1)N(C3=C2C=C(C=C3)Cl)CC[NH+]4CCCC4.C(=O)(C(=O)[O-])O`
InChIKey	`MIIYVLOYDITEFL-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H27ClN2O4 (CAS: 41734-64-9) is a chemical compound with molecular formula C21H27ClN2O4 and molecular weight 406.9 g/mol. Its IUPAC systematic name is 2-chloro-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 86.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 406.16592 Heavy Atoms 28 Complexity 446.0 InChI Key: MIIYVLOYDITEFL-UHFFFAOYSA-N. SMILES: C1CCC2=C(CC1)N(C3=C2C=C(C=C3)Cl)CC[NH+]4CCCC4.C(=O)(C(=O)[O-])O.

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