Analyte Name

2,7-dichloro-N-(1-(((1E)-cycloocten-1-yl)methyl)-1-ethylpiperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide iodide

CAS Number

353791-85-2

Molecular Formula

C30 H37 Cl2 N2 O2 . I

Molecular Weight

655.438

Accurate Mass

654.128

SMILES

[I-].CC[N@+]1(C\C\2=C\CCCCCC2)CC[C@H](CC1)NC(=O)C3c4cc(Cl)ccc4Oc5ccc(Cl)cc35

InChI

InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;/t24-,34+;

IUPAC

2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat