dimethyl 3-methyl-5-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H23N2O5S+ MolecularWeight: 355.42922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCCCC2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCCCC2)C(=O)OC

InChI

InChI=1S/C16H22N2O5S/c1-10-12(15(20)22-2)14(24-13(10)16(21)23-3)17-11(19)9-18-7-5-4-6-8-18/h4-9H2,1-3H3,(H,17,19)/p+1