methyl 3-[[2-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylamino)ethanoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylamino)ethanoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-oxo-2-(2-piperidin-1-ium-1-ylethylamino)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1,2-dioxo-2-[2-(1-piperidin-1-iumyl)ethylamino]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-oxo-2-(2-piperidin-1-ium-1-ylethylamino)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-keto-2-(2-piperidin-1-ium-1-ylethylamino)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C15H22N3O4S+ MolecularWeight: 340.41788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C(=O)NCC[NH+]2CCCCC2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C(=O)NCC[NH+]2CCCCC2

InChI

InChI=1S/C15H21N3O4S/c1-22-15(21)12-11(5-10-23-12)17-14(20)13(19)16-6-9-18-7-3-2-4-8-18/h5,10H,2-4,6-9H2,1H3,(H,16,19)(H,17,20)/p+1