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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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