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

Systemtic Name: 2-(4-decoxy-2-methoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]ethanamide iodide Openeye Name: 2-(4-decoxy-2-methoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]acetamide iodide CAS Name: 2-(4-decoxy-2-methoxyphenoxy)-N-[2-(1-propyl-3-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(4-decoxy-2-methoxyphenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]acetamide iodide Traditional Name: 2-(4-decoxy-2-methoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C29H45IN2O4 MolecularWeight: 612.58307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O4.HI/c1-4-6-7-8-9-10-11-12-21-34-26-15-16-27(28(22-26)33-3)35-24-29(32)30-18-17-25-14-13-20-31(23-25)19-5-2;/h13-16,20,22-23H,4-12,17-19,21,24H2,1-3H3;1H