(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxylate Formula: C12H19N3O2 MolecularWeight: 237.29816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C[NH+]2CCCC2C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)C[NH+]2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C12H19N3O2/c1-8-10(9(2)14(3)13-8)7-15-6-4-5-11(15)12(16)17/h11H,4-7H2,1-3H3,(H,16,17)/t11-/m0/s1