2-(4-dodecoxyphenyl)-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide iodide

Systemtic Name: 2-(4-dodecoxyphenyl)-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: 2-(4-dodecoxyphenyl)-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: 2-(4-dodecoxyphenyl)-2-methoxy-N-[(1-methyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(4-dodecoxyphenyl)-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: 2-(4-lauryloxyphenyl)-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C28H43IN2O3 MolecularWeight: 582.55709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(C(=O)NCC2=C[N+](=CC=C2)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(C(=O)NCC2=C[N+](=CC=C2)C)OC.[I-]

InChI

InChI=1S/C28H42N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-21-33-26-18-16-25(17-19-26)27(32-3)28(31)29-22-24-15-14-20-30(2)23-24;/h14-20,23,27H,4-13,21-22H2,1-3H3;1H