Analyte Name

Calmidazolium Chloride

CAS Number

57265-65-3

Molecular Formula

C31 H23 Cl6 N2 O . Cl

Molecular Weight

687.698

Accurate Mass

683.963

SMILES

[Cl-].Clc1ccc(cc1)C(c2ccc(Cl)cc2)n3cc[n+](CC(OCc4ccc(Cl)cc4Cl)c5ccc(Cl)cc5Cl)c3

InChI

InChI=1S/C31H23Cl6N2O.ClH/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36;/h1-16,19,30-31H,17-18H2;1H/q+1;/p-1

IUPAC

1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium;chloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat