(2S)-3-(1-oxidanidyl-4-phenyl-piperazin-1-ium-1-yl)propane-1,2-diol

Systemtic Name: (2S)-3-(1-oxidanidyl-4-phenyl-piperazin-1-ium-1-yl)propane-1,2-diol Openeye Name: (2S)-3-(1-oxido-4-phenyl-piperazin-1-ium-1-yl)propane-1,2-diol CAS Name: (2S)-3-(1-oxido-4-phenyl-1-piperazin-1-iumyl)propane-1,2-diol IUPAC Name: (2S)-3-(1-oxido-4-phenylpiperazin-1-ium-1-yl)propane-1,2-diol Traditional Name: (2S)-3-(1-oxido-4-phenyl-piperazin-1-ium-1-yl)propane-1,2-diol Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C2=CC=CC=C2)(CC(CO)O)[O-]

Isomeric SMILES

C1C[N+](CCN1C2=CC=CC=C2)(C[C@@H](CO)O)[O-]

InChI

InChI=1S/C13H20N2O3/c16-11-13(17)10-15(18)8-6-14(7-9-15)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1