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

Systemtic Name: 2-(4-hexadecoxy-2-methoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]ethanamide iodide Openeye Name: 2-(4-hexadecoxy-2-methoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]acetamide iodide CAS Name: 2-(4-hexadecoxy-2-methoxyphenoxy)-N-[2-(1-propyl-2-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(4-hexadecoxy-2-methoxyphenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]acetamide iodide Traditional Name: 2-(4-cetyloxy-2-methoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]acetamide iodide Formula: C35H57IN2O4 MolecularWeight: 696.74255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2CCC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2CCC)OC.[I-]

InChI

InChI=1S/C35H56N2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-28-40-32-22-23-33(34(29-32)39-3)41-30-35(38)36-25-24-31-21-18-19-27-37(31)26-5-2;/h18-19,21-23,27,29H,4-17,20,24-26,28,30H2,1-3H3;1H