methyl 5-[4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[[(2R)-2-oxanyl]methyl]-1-piperazin-4-iumyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C16H25N2O5S2+ MolecularWeight: 389.5101

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3CCCCO3

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H]3CCCCO3

InChI

InChI=1S/C16H24N2O5S2/c1-22-16(19)13-10-15(24-12-13)25(20,21)18-7-5-17(6-8-18)11-14-4-2-3-9-23-14/h10,12,14H,2-9,11H2,1H3/p+1/t14-/m1/s1