(2R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol

Systemtic Name: (2R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Openeye Name: (2R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol CAS Name: (2R)-3-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propane-1,2-diol IUPAC Name: (2R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Traditional Name: (2R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Formula: C14H23N2O5S+ MolecularWeight: 331.40782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(CO)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](CO)O

InChI

InChI=1S/C14H22N2O5S/c1-21-13-2-4-14(5-3-13)22(19,20)16-8-6-15(7-9-16)10-12(18)11-17/h2-5,12,17-18H,6-11H2,1H3/p+1/t12-/m1/s1