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

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]butyl 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoate Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]butyl 2-(5-benzoyl-2-thienyl)propanoate CAS Name: 2-(5-benzoyl-2-thiophenyl)propanoic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]butyl ester IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]butyl 2-(5-benzoylthiophen-2-yl)propanoate Traditional Name: 2-(5-benzoyl-2-thienyl)propionic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]butyl ester Formula: C25H27N2O4S+ MolecularWeight: 451.55788

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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

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

InChI

InChI=1S/C25H26N2O4S/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/p+1