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

Systemtic Name: 2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: N-acetyl-2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: N-acetyl-2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[(1-propyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-acetyl-2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: N-acetyl-2-(3-tert-butyl-4-cetyloxy-phenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C39H63IN2O4 MolecularWeight: 750.83299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H63N2O4.HI/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-23-29-44-37-26-25-35(30-36(37)39(4,5)6)45-32-38(43)41(33(3)42)31-34-24-21-22-28-40(34)27-8-2;/h21-22,24-26,28,30H,7-20,23,27,29,31-32H2,1-6H3;1H/q+1;/p-1