methyl 5-aminocarbonyl-4-methyl-2-[[2-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylamino)ethanoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[[2-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylamino)ethanoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-[[2-oxo-2-(2-piperidin-1-ium-1-ylethylamino)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[1,2-dioxo-2-[2-(1-piperidin-1-iumyl)ethylamino]ethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[[2-oxo-2-(2-piperidin-1-ium-1-ylethylamino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-keto-2-(2-piperidin-1-ium-1-ylethylamino)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H25N4O5S+ MolecularWeight: 397.4692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5S/c1-10-11(17(25)26-2)16(27-12(10)13(18)22)20-15(24)14(23)19-6-9-21-7-4-3-5-8-21/h3-9H2,1-2H3,(H2,18,22)(H,19,23)(H,20,24)/p+1