3-[(2S)-2-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-1-yl]propanoate

Systemtic Name: 3-[(2S)-2-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-1-yl]propanoate Openeye Name: 3-[(2S)-2-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-1-yl]propanoate CAS Name: 3-[(2S)-2-[3-(1-pyrazolyl)propyl]-1-pyrrolidin-1-iumyl]propanoate IUPAC Name: 3-[(2S)-2-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-1-yl]propanoate Traditional Name: 3-[(2S)-2-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-1-yl]propionate Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)[O-])CCCN2C=CC=N2

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC(=O)[O-])CCCN2C=CC=N2

InChI

InChI=1S/C13H21N3O2/c17-13(18)6-11-15-8-1-4-12(15)5-2-9-16-10-3-7-14-16/h3,7,10,12H,1-2,4-6,8-9,11H2,(H,17,18)/t12-/m0/s1