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126740-43-0

126740-43-0 | Pyridinium, 1-[2-oxo-2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-, chloride (1:1)

CAS No: 126740-43-0 Catalog No: AG000T6Q MDL No:

Product Description

Catalog Number:
AG000T6Q
Chemical Name:
Pyridinium, 1-[2-oxo-2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-, chloride (1:1)
CAS Number:
126740-43-0
Molecular Formula:
C20H20ClN3O
Molecular Weight:
353.8453
IUPAC Name:
2-pyridin-1-ium-1-yl-N-(1,2,3,4-tetrahydroacridin-9-yl)acetamide;chloride
InChI:
InChI=1S/C20H19N3O.ClH/c24-19(14-23-12-6-1-7-13-23)22-20-15-8-2-4-10-17(15)21-18-11-5-3-9-16(18)20;/h1-2,4,6-8,10,12-13H,3,5,9,11,14H2;1H
InChI Key:
LTPKDPDYGPNDNE-UHFFFAOYSA-N
SMILES:
O=C(Nc1c2CCCCc2nc2c1cccc2)C[n+]1ccccc1.[Cl-]

Properties

Complexity:
435  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.129g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
353.85g/mol
Monoisotopic Mass:
353.129g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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