2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide iodide

Systemtic Name: 2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: N-acetyl-2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: N-acetyl-2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-acetyl-2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: N-acetyl-2-(3-tert-butyl-4-cetyloxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C37H59IN2O4 MolecularWeight: 722.77983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H59N2O4.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-42-35-25-24-33(28-34(35)37(3,4)5)43-30-36(41)39(31(2)40)29-32-23-20-21-26-38(32)6;/h20-21,23-26,28H,7-19,22,27,29-30H2,1-6H3;1H/q+1;/p-1