(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1,3-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Formula: C12H19N3O2 MolecularWeight: 237.29816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCCC(C2)C(=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC[C@@H](C2)C(=O)[O-])C

InChI

InChI=1S/C12H19N3O2/c1-9-11(6-14(2)13-9)8-15-5-3-4-10(7-15)12(16)17/h6,10H,3-5,7-8H2,1-2H3,(H,16,17)/t10-/m0/s1