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

Systemtic Name: 2-(4-hexadecoxy-3-methoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]ethanamide iodide Openeye Name: 2-(4-hexadecoxy-3-methoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide CAS Name: 2-(4-hexadecoxy-3-methoxyphenoxy)-N-[2-(1-methyl-3-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(4-hexadecoxy-3-methoxyphenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide Traditional Name: 2-(4-cetyloxy-3-methoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C33H53IN2O4 MolecularWeight: 668.68939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O4.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-38-31-21-20-30(26-32(31)37-3)39-28-33(36)34-23-22-29-19-18-24-35(2)27-29;/h18-21,24,26-27H,4-17,22-23,25,28H2,1-3H3;1H