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

Systemtic Name: 2-(3-chloranyl-4-hexadecoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-chloro-4-hexadecoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide CAS Name: 2-(3-chloro-4-hexadecoxyphenoxy)-N-[2-(1-methyl-3-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-chloro-4-hexadecoxyphenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide Traditional Name: 2-(4-cetyloxy-3-chloro-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C32H50ClIN2O3 MolecularWeight: 673.10847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)C)Cl.[I-]

InChI

InChI=1S/C32H49ClN2O3.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-37-31-20-19-29(25-30(31)33)38-27-32(36)34-22-21-28-18-17-23-35(2)26-28;/h17-20,23,25-26H,3-16,21-22,24,27H2,1-2H3;1H