ethyl 4-(5-methylfuran-2-yl)-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(5-methylfuran-2-yl)-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(5-methyl-2-furyl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(5-methyl-2-furanyl)-2-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-methylfuran-2-yl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(5-methyl-2-furyl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)C[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)C[NH+]3CCC(CC3)C

InChI

InChI=1S/C20H26N2O4S/c1-4-25-20(24)18-15(16-6-5-14(3)26-16)12-27-19(18)21-17(23)11-22-9-7-13(2)8-10-22/h5-6,12-13H,4,7-11H2,1-3H3,(H,21,23)/p+1