methyl 2-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylic acid methyl ester Formula: C15H18BrN2O5S2+ MolecularWeight: 450.34782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C15H17BrN2O5S2/c1-22-15(19)11-4-9-23-12(11)10-17-5-7-18(8-6-17)25(20,21)14-3-2-13(16)24-14/h2-4,9H,5-8,10H2,1H3/p+1