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116319-67-6 | Pyridinium, 1-(4-methoxybutyl)-4-phenyl-, iodide (1:1)
CAS No: 116319-67-6 Catalog No: AG000C7R MDL No:
Product Description
Catalog Number:
AG000C7R
Chemical Name:
Pyridinium, 1-(4-methoxybutyl)-4-phenyl-, iodide (1:1)
CAS Number:
116319-67-6
Molecular Formula:
C16H20INO
Molecular Weight:
369.2406
IUPAC Name:
1-(4-methoxybutyl)-4-phenylpyridin-1-ium;iodide
InChI:
InChI=1S/C16H20NO.HI/c1-18-14-6-5-11-17-12-9-16(10-13-17)15-7-3-2-4-8-15;/h2-4,7-10,12-13H,5-6,11,14H2,1H3;1H/q+1;/p-1
InChI Key:
HIFGHINAWNWRAI-UHFFFAOYSA-M
SMILES:
COCCCC[n+]1ccc(cc1)c1ccccc1.[I-]
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.246g/mol
Monoisotopic Mass:
369.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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