3-[(2S)-1-methylpiperidin-1-ium-2-yl]propanoate

Systemtic Name: 3-[(2S)-1-methylpiperidin-1-ium-2-yl]propanoate Openeye Name: 3-[(2S)-1-methylpiperidin-1-ium-2-yl]propanoate CAS Name: 3-[(2S)-1-methyl-2-piperidin-1-iumyl]propanoate IUPAC Name: 3-[(2S)-1-methylpiperidin-1-ium-2-yl]propanoate Traditional Name: 3-[(2S)-1-methylpiperidin-1-ium-2-yl]propionate Formula: C9H17NO2 MolecularWeight: 171.23678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCC(=O)[O-]

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCC(=O)[O-]

InChI

InChI=1S/C9H17NO2/c1-10-7-3-2-4-8(10)5-6-9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1