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

Systemtic Name: 2-(4-dodecoxy-3-methoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]ethanamide iodide Openeye Name: 2-(4-dodecoxy-3-methoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]acetamide iodide CAS Name: 2-(4-dodecoxy-3-methoxyphenoxy)-N-[2-(1-propyl-3-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(4-dodecoxy-3-methoxyphenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]acetamide iodide Traditional Name: 2-(4-lauryloxy-3-methoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C31H49IN2O4 MolecularWeight: 640.63623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)CCC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)CCC)OC.[I-]

InChI

InChI=1S/C31H48N2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-23-36-29-18-17-28(24-30(29)35-3)37-26-31(34)32-20-19-27-16-15-22-33(25-27)21-5-2;/h15-18,22,24-25H,4-14,19-21,23,26H2,1-3H3;1H