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

Systemtic Name: 2-(4-hexadecoxy-2-methoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]ethanamide iodide Openeye Name: 2-(4-hexadecoxy-2-methoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]acetamide iodide CAS Name: 2-(4-hexadecoxy-2-methoxyphenoxy)-N-[2-(1-propyl-3-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(4-hexadecoxy-2-methoxyphenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]acetamide iodide Traditional Name: 2-(4-cetyloxy-2-methoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C35H57IN2O4 MolecularWeight: 696.74255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H56N2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-27-40-32-21-22-33(34(28-32)39-3)41-30-35(38)36-24-23-31-20-19-26-37(29-31)25-5-2;/h19-22,26,28-29H,4-18,23-25,27,30H2,1-3H3;1H