2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[(2R)-2-[(1R)-1-(3-methyl-1-pyrazolyl)ethyl]-1-pyrrolidin-1-iumyl]acetate IUPAC Name: 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-ium-1-yl]acetate Formula: C12H19N3O2 MolecularWeight: 237.29816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C(C)C2CCC[NH+]2CC(=O)[O-]

Isomeric SMILES

CC1=NN(C=C1)[C@H](C)[C@H]2CCC[NH+]2CC(=O)[O-]

InChI

InChI=1S/C12H19N3O2/c1-9-5-7-15(13-9)10(2)11-4-3-6-14(11)8-12(16)17/h5,7,10-11H,3-4,6,8H2,1-2H3,(H,16,17)/t10-,11-/m1/s1