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

Systemtic Name: 2-[(2S)-2-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: 2-[(2S)-2-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[(2S)-2-[3-(1-pyrazolyl)propyl]-1-pyrrolidin-1-iumyl]acetate IUPAC Name: 2-[(2S)-2-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[(2S)-2-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-1-yl]acetate Formula: C12H19N3O2 MolecularWeight: 237.29816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O2/c16-12(17)10-14-7-1-4-11(14)5-2-8-15-9-3-6-13-15/h3,6,9,11H,1-2,4-5,7-8,10H2,(H,16,17)/t11-/m0/s1