methyl 4-ethyl-5-methyl-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C16H25N2O3S+ MolecularWeight: 325.4463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCCCC2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCCCC2)C

InChI

InChI=1S/C16H24N2O3S/c1-4-12-11(2)22-15(14(12)16(20)21-3)17-13(19)10-18-8-6-5-7-9-18/h4-10H2,1-3H3,(H,17,19)/p+1