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

Systemtic Name: methyl 3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H26N3O5S2+ MolecularWeight: 416.53544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C17H25N3O5S2/c1-25-17(22)16-14(5-12-26-16)27(23,24)20-10-8-18(9-11-20)13-15(21)19-6-3-2-4-7-19/h5,12H,2-4,6-11,13H2,1H3/p+1