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

Systemtic Name: ethyl 1-[2-[(5-chloranyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[(5-chloro-3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(5-chloro-3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-chloro-3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(3-carbethoxy-5-chloro-4-phenyl-2-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(C(=C(S2)Cl)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)Cl)C3=CC=CC=C3)C(=O)OCC

InChI

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