methyl 3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C16H20N3O4S2+ MolecularWeight: 382.4777

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C16H19N3O4S2/c1-23-16(20)15-14(5-11-24-15)25(21,22)19-9-7-18(8-10-19)12-13-4-2-3-6-17-13/h2-6,11H,7-10,12H2,1H3/p+1