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1027-19-6 | Pyridinium, 5-(benzoylamino)-1,2,4-trimethyl-, iodide (1:1)
CAS No: 1027-19-6 Catalog No: AG00085P MDL No:
Product Description
Catalog Number:
AG00085P
Chemical Name:
Pyridinium, 5-(benzoylamino)-1,2,4-trimethyl-, iodide (1:1)
CAS Number:
1027-19-6
Molecular Formula:
C15H17IN2O
Molecular Weight:
368.2128
IUPAC Name:
N-(1,4,6-trimethylpyridin-1-ium-3-yl)benzamide;iodide
InChI:
InChI=1S/C15H16N2O.HI/c1-11-9-12(2)17(3)10-14(11)16-15(18)13-7-5-4-6-8-13;/h4-10H,1-3H3;1H
InChI Key:
JEZCRWUQDSHPBR-UHFFFAOYSA-N
SMILES:
Cc1cc(C)[n+](cc1NC(=O)c1ccccc1)C.[I-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.218g/mol
Monoisotopic Mass:
368.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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