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

Systemtic Name: methyl 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H23N2O6S+ MolecularWeight: 395.45002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H22N2O6S/c1-24-14-3-6-16(7-4-14)27(22,23)20-11-9-19(10-12-20)13-15-5-8-17(26-15)18(21)25-2/h3-8H,9-13H2,1-2H3/p+1