3-[(2R)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-ium-1-yl]propanoate

Systemtic Name: 3-[(2R)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-ium-1-yl]propanoate Openeye Name: 3-[(2R)-2-(1-isobutylpyrazol-3-yl)pyrrolidin-1-ium-1-yl]propanoate CAS Name: 3-[(2R)-2-[1-(2-methylpropyl)-3-pyrazolyl]-1-pyrrolidin-1-iumyl]propanoate IUPAC Name: 3-[(2R)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-ium-1-yl]propanoate Traditional Name: 3-[(2R)-2-(1-isobutylpyrazol-3-yl)pyrrolidin-1-ium-1-yl]propionate Formula: C14H23N3O2 MolecularWeight: 265.35132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=CC(=N1)C2CCC[NH+]2CCC(=O)[O-]

Isomeric SMILES

CC(C)CN1C=CC(=N1)[C@H]2CCC[NH+]2CCC(=O)[O-]

InChI

InChI=1S/C14H23N3O2/c1-11(2)10-17-9-5-12(15-17)13-4-3-7-16(13)8-6-14(18)19/h5,9,11,13H,3-4,6-8,10H2,1-2H3,(H,18,19)/t13-/m1/s1