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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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