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

Systemtic Name: 2-(4-decoxy-2-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: 2-(4-decoxy-2-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: 2-(4-decoxy-2-methoxyphenyl)-N-[(1-propyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(4-decoxy-2-methoxyphenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: 2-(4-decoxy-2-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide Formula: C28H43IN2O3 MolecularWeight: 582.55709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O3.HI/c1-4-6-7-8-9-10-11-12-20-33-26-14-13-25(27(22-26)32-3)21-28(31)29-23-24-15-18-30(17-5-2)19-16-24;/h13-16,18-19,22H,4-12,17,20-21,23H2,1-3H3;1H