methyl 3-[(4-methylpiperazin-4-ium-1-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-methylpiperazin-4-ium-1-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-methylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-methylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C12H18N3O3S+ MolecularWeight: 284.35462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-14-4-6-15(7-5-14)12(17)13-9-3-8-19-10(9)11(16)18-2/h3,8H,4-7H2,1-2H3,(H,13,17)/p+1