2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[(2R)-2-(1-methyl-4-pyrazolyl)-1-pyrrolidin-1-iumyl]acetate IUPAC Name: 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-ium-1-yl]acetate Formula: C10H15N3O2 MolecularWeight: 209.245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3O2/c1-12-6-8(5-11-12)9-3-2-4-13(9)7-10(14)15/h5-6,9H,2-4,7H2,1H3,(H,14,15)/t9-/m1/s1