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81388-57-0 | Pyridinium, 3-[(ethylamino)carbonyl]-1-(phenylmethyl)-, chloride
CAS No: 81388-57-0 Catalog No: AG0052PN MDL No:
Product Description
Catalog Number:
AG0052PN
Chemical Name:
Pyridinium, 3-[(ethylamino)carbonyl]-1-(phenylmethyl)-, chloride
CAS Number:
81388-57-0
Molecular Formula:
C15H17ClN2O
Molecular Weight:
276.7613
IUPAC Name:
1-benzyl-N-ethylpyridin-1-ium-3-carboxamide;chloride
InChI:
InChI=1S/C15H16N2O.ClH/c1-2-16-15(18)14-9-6-10-17(12-14)11-13-7-4-3-5-8-13;/h3-10,12H,2,11H2,1H3;1H
InChI Key:
WMUPVUSALFPHMP-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1ccc[n+](c1)Cc1ccccc1.[Cl-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.764g/mol
Monoisotopic Mass:
276.103g/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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