N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(4-hexadecoxy-3-methoxy-phenoxy)ethanamide iodide

Systemtic Name: N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(4-hexadecoxy-3-methoxy-phenoxy)ethanamide iodide Openeye Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(4-hexadecoxy-3-methoxy-phenoxy)acetamide iodide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-2-(4-hexadecoxy-3-methoxyphenoxy)acetamide iodide IUPAC Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(4-hexadecoxy-3-methoxyphenoxy)acetamide iodide Traditional Name: N-acetyl-2-(4-cetyloxy-3-methoxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C35H55IN2O5 MolecularWeight: 710.72607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)OC.[I-]

InChI

InChI=1S/C35H55N2O5.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-26-41-33-24-23-32(27-34(33)40-4)42-29-35(39)37(30(3)38)28-31-22-19-20-25-36(31)6-2;/h19-20,22-25,27H,5-18,21,26,28-29H2,1-4H3;1H/q+1;/p-1