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

Systemtic Name: 2-(4-dodecoxy-3-methoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-4-yl)ethyl]ethanamide iodide Openeye Name: 2-(4-dodecoxy-3-methoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide iodide CAS Name: 2-(4-dodecoxy-3-methoxyphenoxy)-N-[2-(1-ethyl-4-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(4-dodecoxy-3-methoxyphenoxy)-N-[2-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide iodide Traditional Name: N-[2-(1-ethylpyridin-1-ium-4-yl)ethyl]-2-(4-lauryloxy-3-methoxy-phenoxy)acetamide iodide Formula: C30H47IN2O4 MolecularWeight: 626.60965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-23-35-28-16-15-27(24-29(28)34-3)36-25-30(33)31-20-17-26-18-21-32(5-2)22-19-26;/h15-16,18-19,21-22,24H,4-14,17,20,23,25H2,1-3H3;1H