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

Systemtic Name: 2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-ethanoyl-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]ethanamide iodide Openeye Name: N-acetyl-2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide CAS Name: N-acetyl-2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[2-(1-methyl-2-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: N-acetyl-2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide Traditional Name: N-acetyl-2-(3-tert-butyl-4-cetyloxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide Formula: C38H61IN2O4 MolecularWeight: 736.80641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CCC2=CC=CC=[N+]2C)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CCC2=CC=CC=[N+]2C)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C38H61N2O4.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-43-36-25-24-34(30-35(36)38(3,4)5)44-31-37(42)40(32(2)41)28-26-33-23-20-21-27-39(33)6;/h20-21,23-25,27,30H,7-19,22,26,28-29,31H2,1-6H3;1H/q+1;/p-1