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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4S.HI/c1-17(20-11-12-21(31-20)22(27)18-8-4-3-5-9-18)24(29)30-15-7-13-25-23(28)19-10-6-14-26(2)16-19;/h3-6,8-12,14,16-17H,7,13,15H2,1-2H3;1H