6-(hydroxymethyl)-3-oxidanyl-2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyran-4-one Formula: C20H27N2O6S+ MolecularWeight: 423.50318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6S/c1-2-3-15-4-6-17(7-5-15)29(26,27)22-10-8-21(9-11-22)13-19-20(25)18(24)12-16(14-23)28-19/h4-7,12,23,25H,2-3,8-11,13-14H2,1H3/p+1