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

Systemtic Name: 2-(4-decoxy-3-methoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]ethanamide iodide Openeye Name: 2-(4-decoxy-3-methoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide CAS Name: 2-(4-decoxy-3-methoxyphenoxy)-N-[2-(1-methyl-3-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(4-decoxy-3-methoxyphenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide Traditional Name: 2-(4-decoxy-3-methoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C27H41IN2O4 MolecularWeight: 584.52991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O4.HI/c1-4-5-6-7-8-9-10-11-19-32-25-15-14-24(20-26(25)31-3)33-22-27(30)28-17-16-23-13-12-18-29(2)21-23;/h12-15,18,20-21H,4-11,16-17,19,22H2,1-3H3;1H