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89451-03-6 | Quinolinium, 5,6,7,8-tetrahydro-1,2,4-triphenyl-, perchlorate
CAS No: 89451-03-6 Catalog No: AG00433W MDL No:
Product Description
Catalog Number:
AG00433W
Chemical Name:
Quinolinium, 5,6,7,8-tetrahydro-1,2,4-triphenyl-, perchlorate
CAS Number:
89451-03-6
Molecular Formula:
C27H24ClNO4
Molecular Weight:
461.9368
IUPAC Name:
1,2,4-triphenyl-5,6,7,8-tetrahydroquinolin-1-ium;perchlorate
InChI:
InChI=1S/C27H24N.ClHO4/c1-4-12-21(13-5-1)25-20-27(22-14-6-2-7-15-22)28(23-16-8-3-9-17-23)26-19-11-10-18-24(25)26;2-1(3,4)5/h1-9,12-17,20H,10-11,18-19H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
AYYRSXSQXLTCIH-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)[n+]1c2CCCCc2c(cc1c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.139g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.942g/mol
Monoisotopic Mass:
461.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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