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

Systemtic Name: methyl 5-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H27N2O5S+ MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C20H26N2O5S/c1-3-4-16-5-8-18(9-6-16)28(24,25)22-13-11-21(12-14-22)15-17-7-10-19(27-17)20(23)26-2/h5-10H,3-4,11-15H2,1-2H3/p+1