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

Systemtic Name: methyl 1-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[3-carbethoxy-4-(2,4-dimethylphenyl)-2-thienyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C24H31N2O5S+ MolecularWeight: 459.57834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C24H30N2O5S/c1-5-31-24(29)21-19(18-7-6-15(2)12-16(18)3)14-32-22(21)25-20(27)13-26-10-8-17(9-11-26)23(28)30-4/h6-7,12,14,17H,5,8-11,13H2,1-4H3,(H,25,27)/p+1