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

Systemtic Name: ethyl 1-[2-[[4-(2-chlorophenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[4-(2-chlorophenyl)-3-methoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[4-(2-chlorophenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[4-(2-chlorophenyl)-3-methoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[3-carbomethoxy-4-(2-chlorophenyl)-2-thienyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H26ClN2O5S+ MolecularWeight: 465.97024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C22H25ClN2O5S/c1-3-30-21(27)14-8-10-25(11-9-14)12-18(26)24-20-19(22(28)29-2)16(13-31-20)15-6-4-5-7-17(15)23/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,26)/p+1