Compound C18H22Cl2N4O3

dimethyl-[3-[(1-nitro-10-oxidoacridin-10-ium-9-yl)azaniumyl]propyl]azanium dichloride

CAS: 20063-73-4

Molecular Formula	`C18H22Cl2N4O3`
Molecular Weight	413.3 g/mol
Topological Polar Surface Area	92.3 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	412.1069
Heavy Atoms	27
Complexity	456.0

Chemical Identifiers

CAS Number	20063-73-4
SMILES	`C[NH+](C)CCC[NH2+]C1=C2C(=[N+](C3=CC=CC=C31)[O-])C=CC=C2[N+](=O)[O-].[Cl-].[Cl-]`
InChIKey	`CPKSCBUZCWCNRA-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H22Cl2N4O3 (CAS: 20063-73-4) is a chemical compound with molecular formula C18H22Cl2N4O3 and molecular weight 413.3 g/mol. Its IUPAC systematic name is dimethyl-[3-[(1-nitro-10-oxidoacridin-10-ium-9-yl)azaniumyl]propyl]azanium dichloride. Topological Polar Surface Area 92.3 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 412.1069 Heavy Atoms 27 Complexity 456.0 InChI Key: CPKSCBUZCWCNRA-UHFFFAOYSA-N. SMILES: C[NH+](C)CCC[NH2+]C1=C2C(=[N+](C3=CC=CC=C31)[O-])C=CC=C2[N+](=O)[O-].[Cl-].[Cl-].

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