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

Systemtic Name: methyl 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C19H25N2O6S+ MolecularWeight: 409.4766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C19H24N2O6S/c1-3-26-15-4-7-17(8-5-15)28(23,24)21-12-10-20(11-13-21)14-16-6-9-18(27-16)19(22)25-2/h4-9H,3,10-14H2,1-2H3/p+1