2-(2-chloranyl-4-decoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]ethanamide iodide

Systemtic Name: 2-(2-chloranyl-4-decoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]ethanamide iodide Openeye Name: 2-(2-chloro-4-decoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide CAS Name: 2-(2-chloro-4-decoxyphenoxy)-N-[2-(1-methyl-3-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(2-chloro-4-decoxyphenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide Traditional Name: 2-(2-chloro-4-decoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C26H38ClIN2O3 MolecularWeight: 588.94899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)C)Cl.[I-]

InChI

InChI=1S/C26H37ClN2O3.HI/c1-3-4-5-6-7-8-9-10-18-31-23-13-14-25(24(27)19-23)32-21-26(30)28-16-15-22-12-11-17-29(2)20-22;/h11-14,17,19-20H,3-10,15-16,18,21H2,1-2H3;1H