ethyl 1-[2-[[5-(4-chlorophenyl)-2-ethoxycarbonyl-thiophen-3-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[5-(4-chlorophenyl)-2-ethoxycarbonyl-thiophen-3-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[5-(4-chlorophenyl)-2-ethoxycarbonyl-3-thienyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[5-(4-chlorophenyl)-2-ethoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[5-(4-chlorophenyl)-2-ethoxycarbonylthiophen-3-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[2-carbethoxy-5-(4-chlorophenyl)-3-thienyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H28ClN2O5S+ MolecularWeight: 479.99682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C23H27ClN2O5S/c1-3-30-22(28)16-9-11-26(12-10-16)14-20(27)25-18-13-19(15-5-7-17(24)8-6-15)32-21(18)23(29)31-4-2/h5-8,13,16H,3-4,9-12,14H2,1-2H3,(H,25,27)/p+1