methyl 3-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-[2-(diethylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[2-(diethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-[2-(diethylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C16H26N3O5S2+ MolecularWeight: 404.52474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O5S2/c1-4-18(5-2)14(20)12-17-7-9-19(10-8-17)26(22,23)13-6-11-25-15(13)16(21)24-3/h6,11H,4-5,7-10,12H2,1-3H3/p+1