3-[(2R)-2-(1-ethylpyrazol-4-yl)pyrrolidin-1-ium-1-yl]propanoate

Systemtic Name: 3-[(2R)-2-(1-ethylpyrazol-4-yl)pyrrolidin-1-ium-1-yl]propanoate Openeye Name: 3-[(2R)-2-(1-ethylpyrazol-4-yl)pyrrolidin-1-ium-1-yl]propanoate CAS Name: 3-[(2R)-2-(1-ethyl-4-pyrazolyl)-1-pyrrolidin-1-iumyl]propanoate IUPAC Name: 3-[(2R)-2-(1-ethylpyrazol-4-yl)pyrrolidin-1-ium-1-yl]propanoate Traditional Name: 3-[(2R)-2-(1-ethylpyrazol-4-yl)pyrrolidin-1-ium-1-yl]propionate Formula: C12H19N3O2 MolecularWeight: 237.29816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2CCC[NH+]2CCC(=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)[C@H]2CCC[NH+]2CCC(=O)[O-]

InChI

InChI=1S/C12H19N3O2/c1-2-15-9-10(8-13-15)11-4-3-6-14(11)7-5-12(16)17/h8-9,11H,2-7H2,1H3,(H,16,17)/t11-/m1/s1