108357-22-8
1-(3-(4-(4-CYANOBENZOYL)PHENOXY)-2-HYDROXYPROPYL)-4-PHENYLPYRIDINIUM CHLORIDE
Name1-(3-(4-(4-CYANOBENZOYL)PHENOXY)-2-HYDROXYPROPYL)-4-PHENYLPYRIDINIUM CHLORIDE
pro_formulaC28 H23 N2 O3 . Cl
1Identification
【Name】
1-(3-(4-(4-CYANOBENZOYL)PHENOXY)-2-HYDROXYPROPYL)-4-PHENYLPYRIDINIUM CHLORIDE
【CAS】
【MDL】
MFCD01758713
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C28 H23 N2 O3 . Cl
【pro_molWeight】
470.954
【Inchi】
InChI=1S/C28H23N2O3.ClH/c29-18-21-6-8-24(9-7-21)28(32)25-10-12-27(13-11-25)33-20-26(31)19-30-16-14-23(15-17-30)22-4-2-1-3-5-22;/h1-17,26,31H,19-20H2;1H/q+1;/p-1
【InChIKey】
InChIKey=SVCCIGJKKXLXOZ-UHFFFAOYSA-M
【SMILES】
c1ccc(cc1)c2cc[n+](cc2)CC(COc3ccc(cc3)C(=O)c4ccc(cc4)C#N)O.[Cl-]
【MOL File】
1-(3-(4-(4-CYANOBENZ….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(3-(4-(4-CYANOBENZOYL)PHENOXY)-2-HYDROXYPROPYL)-4-PHENYLPYRIDINIUM CHLORIDE.cml