methyl 4-(furan-2-yl)-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(furan-2-yl)-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2-furyl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-furanyl)-2-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(furan-2-yl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-furyl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H23N2O4S+ MolecularWeight: 363.45122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CO3)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CO3)C(=O)OC

InChI

InChI=1S/C18H22N2O4S/c1-12-5-7-20(8-6-12)10-15(21)19-17-16(18(22)23-2)13(11-25-17)14-4-3-9-24-14/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,21)/p+1