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

Systemtic Name: 2-(4-decoxy-3-methoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: 2-(4-decoxy-3-methoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: 2-(4-decoxy-3-methoxyphenyl)-N-[(1-methyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(4-decoxy-3-methoxyphenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: 2-(4-decoxy-3-methoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C26H39IN2O3 MolecularWeight: 554.50393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O3.HI/c1-4-5-6-7-8-9-10-11-17-31-24-15-14-22(18-25(24)30-3)19-26(29)27-20-23-13-12-16-28(2)21-23;/h12-16,18,21H,4-11,17,19-20H2,1-3H3;1H