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80815-18-5 | Pyridinium, 4-phenyl-1-(phenylmethyl)-
CAS No: 80815-18-5 Catalog No: AG00517H MDL No:
Product Description
Catalog Number:
AG00517H
Chemical Name:
Pyridinium, 4-phenyl-1-(phenylmethyl)-
CAS Number:
80815-18-5
Molecular Formula:
C18H16N+
Molecular Weight:
246.3263
IUPAC Name:
1-benzyl-4-phenylpyridin-1-ium
InChI:
InChI=1S/C18H16N/c1-3-7-16(8-4-1)15-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14H,15H2/q+1
InChI Key:
QHBDHYKLHFDJIG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C[n+]1ccc(cc1)c1ccccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.128g/mol
Formal Charge:
1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.333g/mol
Monoisotopic Mass:
246.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Influence of molecular structure on substrate binding to the human organic cation transporter, hOCT1. | Molecular pharmacology 20030301 |
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