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

Systemtic Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Formula: C11H17N3O2 MolecularWeight: 223.27158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C11H17N3O2/c1-13-6-9(5-12-13)7-14-4-2-3-10(8-14)11(15)16/h5-6,10H,2-4,7-8H2,1H3,(H,15,16)/t10-/m0/s1