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73680-63-4 | METHYL-(2-MORPHOLIN-4-YLETHYL)-(2-OXO-1,2-DIPHENYL-ETHYL)-PYRIDIN-2-YL-AZANIUM IODIDE
CAS No: 73680-63-4 Catalog No: AG005XYR MDL No:
Product Description
Catalog Number:
AG005XYR
Chemical Name:
METHYL-(2-MORPHOLIN-4-YLETHYL)-(2-OXO-1,2-DIPHENYL-ETHYL)-PYRIDIN-2-YL-AZANIUM IODIDE
CAS Number:
73680-63-4
Molecular Formula:
C26H30IN3O2
Molecular Weight:
543.4398
IUPAC Name:
methyl-(2-morpholin-4-ylethyl)-(2-oxo-1,2-diphenylethyl)-pyridin-2-ylazanium;iodide
InChI:
InChI=1S/C26H30N3O2.HI/c1-29(24-14-8-9-15-27-24,19-16-28-17-20-31-21-18-28)25(22-10-4-2-5-11-22)26(30)23-12-6-3-7-13-23;/h2-15,25H,16-21H2,1H3;1H/q+1;/p-1
InChI Key:
JHPMGJUNLFXKRY-UHFFFAOYSA-M
SMILES:
O=C(C([N+](c1ccccn1)(CCN1CCOCC1)C)c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
543.138g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
543.449g/mol
Monoisotopic Mass:
543.138g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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