methyl 3-[[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(4-methyl-1-piperazin-4-iumyl)-1,2-dioxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C13H18N3O4S+ MolecularWeight: 312.36472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C13H17N3O4S/c1-15-4-6-16(7-5-15)12(18)11(17)14-9-3-8-21-10(9)13(19)20-2/h3,8H,4-7H2,1-2H3,(H,14,17)/p+1