1-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propan-2-yl 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoate iodide

Systemtic Name: 1-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propan-2-yl 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoate iodide Openeye Name: [1-methyl-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl] 2-(5-benzoyl-2-thienyl)propanoate iodide CAS Name: 2-(5-benzoyl-2-thiophenyl)propanoic acid 1-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]propan-2-yl ester iodide IUPAC Name: 1-[(1-methylpyridin-1-ium-3-carbonyl)amino]propan-2-yl 2-(5-benzoylthiophen-2-yl)propanoate iodide Traditional Name: 2-(5-benzoyl-2-thienyl)propionic acid [1-methyl-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl] ester iodide Formula: C24H25IN2O4S MolecularWeight: 564.43577

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C[N+](=CC=C1)C)OC(=O)C(C)C2=CC=C(S2)C(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC(CNC(=O)C1=C[N+](=CC=C1)C)OC(=O)C(C)C2=CC=C(S2)C(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C24H24N2O4S.HI/c1-16(14-25-23(28)19-10-7-13-26(3)15-19)30-24(29)17(2)20-11-12-21(31-20)22(27)18-8-5-4-6-9-18;/h4-13,15-17H,14H2,1-3H3;1H