2-[(2S)-1-methylpiperidin-1-ium-2-yl]propane-1,3-diol

Systemtic Name: 2-[(2S)-1-methylpiperidin-1-ium-2-yl]propane-1,3-diol Openeye Name: 2-[(2S)-1-methylpiperidin-1-ium-2-yl]propane-1,3-diol CAS Name: 2-[(2S)-1-methyl-2-piperidin-1-iumyl]propane-1,3-diol IUPAC Name: 2-[(2S)-1-methylpiperidin-1-ium-2-yl]propane-1,3-diol Traditional Name: 2-[(2S)-1-methylpiperidin-1-ium-2-yl]propane-1,3-diol Formula: C9H20NO2+ MolecularWeight: 174.2606

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C(CO)CO

Isomeric SMILES

C[NH+]1CCCC[C@H]1C(CO)CO

InChI

InChI=1S/C9H19NO2/c1-10-5-3-2-4-9(10)8(6-11)7-12/h8-9,11-12H,2-7H2,1H3/p+1/t9-/m0/s1