2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-[4-(phenylcarbonyl)phenyl]propanoate iodide

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-[4-(phenylcarbonyl)phenyl]propanoate iodide Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-(4-benzoylphenyl)propanoate iodide CAS Name: 2-(4-benzoylphenyl)propanoic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-(4-benzoylphenyl)propanoate iodide Traditional Name: 2-(4-benzoylphenyl)propionic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl ester iodide Formula: C25H25IN2O4 MolecularWeight: 544.38147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O4.HI/c1-18(19-10-12-21(13-11-19)23(28)20-7-4-3-5-8-20)25(30)31-16-14-26-24(29)22-9-6-15-27(2)17-22;/h3-13,15,17-18H,14,16H2,1-2H3;1H