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90328-34-0 | Quinolinium, 2-[2-(1-naphthalenyl)-1-propenyl]-1-phenyl-, perchlorate
CAS No: 90328-34-0 Catalog No: AG006RQ9 MDL No:
Product Description
Catalog Number:
AG006RQ9
Chemical Name:
Quinolinium, 2-[2-(1-naphthalenyl)-1-propenyl]-1-phenyl-, perchlorate
CAS Number:
90328-34-0
Molecular Formula:
C28H22ClNO4
Molecular Weight:
471.9316
IUPAC Name:
2-(2-naphthalen-1-ylprop-1-enyl)-1-phenylquinolin-1-ium;perchlorate
InChI:
InChI=1S/C28H22N.ClHO4/c1-21(26-16-9-12-22-10-5-7-15-27(22)26)20-25-19-18-23-11-6-8-17-28(23)29(25)24-13-3-2-4-14-24;2-1(3,4)5/h2-20H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
ZYCBXMSWFWDSFA-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CC(=Cc1ccc2c([n+]1c1ccccc1)cccc2)c1cccc2c1cccc2
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.124g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
471.937g/mol
Monoisotopic Mass:
471.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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