methyl 3-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxidanylidene-ethanoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxidanylidene-ethanoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxo-acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[3-(4-morpholin-4-iumyl)propylamino]-1,2-dioxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxoacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-keto-2-(3-morpholin-4-ium-4-ylpropylamino)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C15H22N3O5S+ MolecularWeight: 356.41728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C(=O)NCCC[NH+]2CCOCC2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C(=O)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C15H21N3O5S/c1-22-15(21)12-11(3-10-24-12)17-14(20)13(19)16-4-2-5-18-6-8-23-9-7-18/h3,10H,2,4-9H2,1H3,(H,16,19)(H,17,20)/p+1