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

Systemtic Name: 2-chloranyl-2-(4-decoxyphenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: 2-chloro-2-(4-decoxyphenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: 2-chloro-2-(4-decoxyphenyl)-N-[(1-methyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-chloro-2-(4-decoxyphenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: 2-chloro-2-(4-decoxyphenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C25H36ClIN2O2 MolecularWeight: 558.92301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(C(=O)NCC2=C[N+](=CC=C2)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(C(=O)NCC2=C[N+](=CC=C2)C)Cl.[I-]

InChI

InChI=1S/C25H35ClN2O2.HI/c1-3-4-5-6-7-8-9-10-18-30-23-15-13-22(14-16-23)24(26)25(29)27-19-21-12-11-17-28(2)20-21;/h11-17,20,24H,3-10,18-19H2,1-2H3;1H