O2-ethyl O4-methyl 3-methyl-5-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 3-methyl-5-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C18H27N2O5S+ MolecularWeight: 383.48238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C[NH+]2CCC(CC2)C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C[NH+]2CCC(CC2)C)C(=O)OC)C

InChI

InChI=1S/C18H26N2O5S/c1-5-25-18(23)15-12(3)14(17(22)24-4)16(26-15)19-13(21)10-20-8-6-11(2)7-9-20/h11H,5-10H2,1-4H3,(H,19,21)/p+1