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115581-61-8 | Pyridinium, 1,1'-(1,3-propanediyl)bis[4-(acetylamino)-, dichloride (9CI)
CAS No: 115581-61-8 Catalog No: AG000G7F MDL No:
Product Description
Catalog Number:
AG000G7F
Chemical Name:
Pyridinium, 1,1'-(1,3-propanediyl)bis[4-(acetylamino)-, dichloride (9CI)
CAS Number:
115581-61-8
Molecular Formula:
C17H22Cl2N4O2
Molecular Weight:
385.2882
IUPAC Name:
N-[1-[3-(4-acetamidopyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]acetamide;dichloride
InChI:
InChI=1S/C17H20N4O2.2ClH/c1-14(22)18-16-4-10-20(11-5-16)8-3-9-21-12-6-17(7-13-21)19-15(2)23;;/h4-7,10-13H,3,8-9H2,1-2H3;2*1H
InChI Key:
RCSUJFYNJFQGAU-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc[n+](cc1)CCC[n+]1ccc(cc1)NC(=O)C.[Cl-].[Cl-]
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.112g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
385.289g/mol
Monoisotopic Mass:
384.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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