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145234-87-3 | Pyridinium, 3-(aminocarbonyl)-1-[[[4-(dimethylamino)phenyl]methylene]amino]-2-methyl-, perchlorate (1:1)
CAS No: 145234-87-3 Catalog No: AG001KOW MDL No:
Product Description
Catalog Number:
AG001KOW
Chemical Name:
Pyridinium, 3-(aminocarbonyl)-1-[[[4-(dimethylamino)phenyl]methylene]amino]-2-methyl-, perchlorate (1:1)
CAS Number:
145234-87-3
Molecular Formula:
C16H19ClN4O5
Molecular Weight:
382.7989
IUPAC Name:
1-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpyridin-1-ium-3-carboxamide;perchlorate
InChI:
InChI=1S/C16H18N4O.ClHO4/c1-12-15(16(17)21)5-4-10-20(12)18-11-13-6-8-14(9-7-13)19(2)3;2-1(3,4)5/h4-11H,1-3H3,(H-,17,21);(H,2,3,4,5)
InChI Key:
CDERPERIKUGEFP-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.CN(c1ccc(cc1)C=N[n+]1cccc(c1C)C(=O)N)C
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.104g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.801g/mol
Monoisotopic Mass:
382.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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