ethyl 2-(2-piperidin-1-ium-1-ylethanoylamino)-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-piperidin-1-ium-1-ylethanoylamino)-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H27N2O3S+ MolecularWeight: 339.47288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C[NH+]2CCCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C17H26N2O3S/c1-4-22-17(21)13-10-14(12(2)3)23-16(13)18-15(20)11-19-8-6-5-7-9-19/h10,12H,4-9,11H2,1-3H3,(H,18,20)/p+1