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87831-08-1 | Pyridinium, 3-[(phenylamino)carbonyl]-1-propyl-, bromide
CAS No: 87831-08-1 Catalog No: AG004JNM MDL No:
Product Description
Catalog Number:
AG004JNM
Chemical Name:
Pyridinium, 3-[(phenylamino)carbonyl]-1-propyl-, bromide
CAS Number:
87831-08-1
Molecular Formula:
C15H17BrN2O
Molecular Weight:
321.2123
IUPAC Name:
N-phenyl-1-propylpyridin-1-ium-3-carboxamide;bromide
InChI:
InChI=1S/C15H16N2O.BrH/c1-2-10-17-11-6-7-13(12-17)15(18)16-14-8-4-3-5-9-14;/h3-9,11-12H,2,10H2,1H3;1H
InChI Key:
WRJZTFBDQXUWRK-UHFFFAOYSA-N
SMILES:
CCC[n+]1cccc(c1)C(=O)Nc1ccccc1.[Br-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.218g/mol
Monoisotopic Mass:
320.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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