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

Systemtic Name: ethyl 4-(5-methylfuran-2-yl)-2-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(5-methyl-2-furyl)-2-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(5-methyl-2-furanyl)-2-[[2-[(2R)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-methylfuran-2-yl)-2-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(5-methyl-2-furyl)-2-[[2-[(2R)-2-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+]3CCCCC3C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)C[NH+]3CCCC[C@H]3C

InChI

InChI=1S/C20H26N2O4S/c1-4-25-20(24)18-15(16-9-8-14(3)26-16)12-27-19(18)21-17(23)11-22-10-6-5-7-13(22)2/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,21,23)/p+1/t13-/m1/s1