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78484-03-4 | 1-(2-HYDROXY-3-((1,2,3,4-TETRAHYDRO-2-OXO-5-QUINOLINYL)OXY)PROPYL)-1-METHYL-4-PHENYLPIPERIDINIUM IODIDE
CAS No: 78484-03-4 Catalog No: AG005LB0 MDL No:
Product Description
Catalog Number:
AG005LB0
Chemical Name:
1-(2-HYDROXY-3-((1,2,3,4-TETRAHYDRO-2-OXO-5-QUINOLINYL)OXY)PROPYL)-1-METHYL-4-PHENYLPIPERIDINIUM IODIDE
CAS Number:
78484-03-4
Molecular Formula:
C24H31IN2O3
Molecular Weight:
522.4190
IUPAC Name:
5-[2-hydroxy-3-(1-methyl-4-phenylpiperidin-1-ium-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;iodide
InChI:
InChI=1S/C24H30N2O3.HI/c1-26(14-12-19(13-15-26)18-6-3-2-4-7-18)16-20(27)17-29-23-9-5-8-22-21(23)10-11-24(28)25-22;/h2-9,19-20,27H,10-17H2,1H3;1H
InChI Key:
MZKLZEDHPGATAW-UHFFFAOYSA-N
SMILES:
OC(C[N+]1(C)CCC(CC1)c1ccccc1)COc1cccc2c1CCC(=O)N2.[I-]
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.138g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
522.427g/mol
Monoisotopic Mass:
522.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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