2-(4-dodecoxyphenoxy)-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]propanamide iodide

Systemtic Name: 2-(4-dodecoxyphenoxy)-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]propanamide iodide Openeye Name: N-acetyl-2-(4-dodecoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]propanamide iodide CAS Name: N-acetyl-2-(4-dodecoxyphenoxy)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]propanamide iodide IUPAC Name: N-acetyl-2-(4-dodecoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]propanamide iodide Traditional Name: N-acetyl-2-(4-lauryloxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]propionamide iodide Formula: C30H45IN2O4 MolecularWeight: 624.59377

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)OC(C)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)OC(C)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C.[I-]

InChI

InChI=1S/C30H45N2O4.HI/c1-5-6-7-8-9-10-11-12-13-16-23-35-28-18-20-29(21-19-28)36-25(2)30(34)32(26(3)33)24-27-17-14-15-22-31(27)4;/h14-15,17-22,25H,5-13,16,23-24H2,1-4H3;1H/q+1;/p-1