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

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]butyl 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoate iodide Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]butyl 2-(5-benzoyl-2-thienyl)propanoate iodide CAS Name: 2-(5-benzoyl-2-thiophenyl)propanoic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]butyl ester iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]butyl 2-(5-benzoylthiophen-2-yl)propanoate iodide Traditional Name: 2-(5-benzoyl-2-thienyl)propionic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]butyl ester iodide Formula: C25H27IN2O4S MolecularWeight: 578.46235

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C(C)C1=CC=C(S1)C(=O)C2=CC=CC=C2)NC(=O)C3=C[N+](=CC=C3)C.[I-]

Isomeric SMILES

CCC(COC(=O)C(C)C1=CC=C(S1)C(=O)C2=CC=CC=C2)NC(=O)C3=C[N+](=CC=C3)C.[I-]

InChI

InChI=1S/C25H26N2O4S.HI/c1-4-20(26-24(29)19-11-8-14-27(3)15-19)16-31-25(30)17(2)21-12-13-22(32-21)23(28)18-9-6-5-7-10-18;/h5-15,17,20H,4,16H2,1-3H3;1H