(2S)-3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol

Systemtic Name: (2S)-3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Openeye Name: (2S)-3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol CAS Name: (2S)-3-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propane-1,2-diol IUPAC Name: (2S)-3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Traditional Name: (2S)-3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Formula: C15H25N2O6S+ MolecularWeight: 361.4338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O6S/c1-22-14-4-3-13(9-15(14)23-2)24(20,21)17-7-5-16(6-8-17)10-12(19)11-18/h3-4,9,12,18-19H,5-8,10-11H2,1-2H3/p+1/t12-/m0/s1