ethyl 1-[2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-2-thienyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-2-thiophenyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[3-carbethoxy-4-(4-fluorophenyl)-2-thienyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H28FN2O5S+ MolecularWeight: 463.542223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C23H27FN2O5S/c1-3-30-22(28)16-9-11-26(12-10-16)13-19(27)25-21-20(23(29)31-4-2)18(14-32-21)15-5-7-17(24)8-6-15/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,25,27)/p+1