Analyte Name

1,1-Bis(3-(4-acetyl-2-methoxyphenoxy)propyl)-4-(6- fluorobenzo[d]isoxazol-3- yl)piperidinium Chloride

Molecular Formula

C36H42ClFN2O7

Molecular Weight

669.19

Accurate Mass

668.27

SMILES

FC1=CC=C(C(C2CC[N+](CCCOC3=CC=C(C(C)=O)C=C3OC)(CCCOC4=CC=C(C(C)=O)C=C4OC)CC2)=NO5)C5=C1.[Cl-]

InChI

InChI=1S/C36H42FN2O7.ClH/c1-24(40)27-7-11-31(34(21-27)42-3)44-19-5-15-39(16-6-20-45-32-12-8-28(25(2)41)22-35(32)43-4)17-13-26(14-18-39)36-30-10-9-29(37)23-33(30)46-38-36;/h7-12,21-23,26H,5-6,13-20H2,1-4H3;1H/q+1;/p-1

IUPAC

1,1-Bis(3-(4-acetyl-2-methoxyphenoxy)propyl)-4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-ium Chloride

Country of Origin

CANADA

Product Format

Neat