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

Systemtic Name: (2S)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Openeye Name: (2S)-3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propane-1,2-diol CAS Name: (2S)-3-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propane-1,2-diol IUPAC Name: (2S)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Traditional Name: (2S)-3-(4-tosylpiperazin-1-ium-1-yl)propane-1,2-diol Formula: C14H23N2O4S+ MolecularWeight: 315.40842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(CO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@@H](CO)O

InChI

InChI=1S/C14H22N2O4S/c1-12-2-4-14(5-3-12)21(19,20)16-8-6-15(7-9-16)10-13(18)11-17/h2-5,13,17-18H,6-11H2,1H3/p+1/t13-/m0/s1