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

Systemtic Name: methyl 1-[2-[[5-(4-chlorophenyl)-2-ethoxycarbonyl-thiophen-3-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H26ClN2O5S+ MolecularWeight: 465.97024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

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