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

Systemtic Name: 2-(2-chloranyl-4-hexadecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]ethanamide iodide Openeye Name: 2-(2-chloro-4-hexadecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide CAS Name: 2-(2-chloro-4-hexadecoxyphenoxy)-N-[2-(1-ethyl-2-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(2-chloro-4-hexadecoxyphenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide Traditional Name: 2-(4-cetyloxy-2-chloro-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide Formula: C33H52ClIN2O3 MolecularWeight: 687.13505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2CC)Cl.[I-]

InChI

InChI=1S/C33H51ClN2O3.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-26-38-30-21-22-32(31(34)27-30)39-28-33(37)35-24-23-29-20-17-18-25-36(29)4-2;/h17-18,20-22,25,27H,3-16,19,23-24,26,28H2,1-2H3;1H