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100623-71-0 | Pyridinium, 1-[2-(1-naphthalenylphenylamino)-2-oxoethyl]-, chloride (1:1)
CAS No: 100623-71-0 Catalog No: AG0002IS MDL No:
Product Description
Catalog Number:
AG0002IS
Chemical Name:
Pyridinium, 1-[2-(1-naphthalenylphenylamino)-2-oxoethyl]-, chloride (1:1)
CAS Number:
100623-71-0
Molecular Formula:
C23H21ClN2O
Molecular Weight:
376.8786
IUPAC Name:
N-(1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridin-1-ium-1-ylacetamide;chloride
InChI:
InChI=1S/C23H20N2O.ClH/c26-22(18-25-16-7-2-8-17-25)24-23(14-5-1-6-15-23)21-13-9-11-19-10-3-4-12-20(19)21;/h1-14,16-17H,15,18H2;1H
InChI Key:
SHPQQHBLGFZKSD-UHFFFAOYSA-N
SMILES:
O=C(NC1(CC=CC=C1)c1cccc2c1cccc2)C[n+]1ccccc1.[Cl-]
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.134g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.884g/mol
Monoisotopic Mass:
376.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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