[4-[(4-acetyloxyphenyl)-(1-methylpyridin-1-ium-2-yl)methyl]phenyl] ethanoate iodide

Systemtic Name: [4-[(4-acetyloxyphenyl)-(1-methylpyridin-1-ium-2-yl)methyl]phenyl] ethanoate iodide Openeye Name: [4-[(4-acetoxyphenyl)-(1-methylpyridin-1-ium-2-yl)methyl]phenyl] acetate iodide CAS Name: acetic acid [4-[(4-acetyloxyphenyl)-(1-methyl-2-pyridin-1-iumyl)methyl]phenyl] ester iodide IUPAC Name: [4-[(4-acetyloxyphenyl)-(1-methylpyridin-1-ium-2-yl)methyl]phenyl] acetate iodide Traditional Name: acetic acid [4-[(4-acetoxyphenyl)-(1-methylpyridin-1-ium-2-yl)methyl]phenyl] ester iodide Formula: C23H22INO4 MolecularWeight: 503.32955

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=[N+]3C.[I-]

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=[N+]3C.[I-]

InChI

InChI=1S/C23H22NO4.HI/c1-16(25)27-20-11-7-18(8-12-20)23(22-6-4-5-15-24(22)3)19-9-13-21(14-10-19)28-17(2)26;/h4-15,23H,1-3H3;1H/q+1;/p-1