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

Systemtic Name: ethyl 1-[2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thienyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thiophenyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[3-carbethoxy-4-(4-methoxyphenyl)-2-thienyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H31N2O6S+ MolecularWeight: 475.57774

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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)OC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O6S/c1-4-31-23(28)17-10-12-26(13-11-17)14-20(27)25-22-21(24(29)32-5-2)19(15-33-22)16-6-8-18(30-3)9-7-16/h6-9,15,17H,4-5,10-14H2,1-3H3,(H,25,27)/p+1