1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C14H23N3O2 MolecularWeight: 265.35132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)[O-])C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)[O-])C

InChI

InChI=1S/C14H23N3O2/c1-4-17-11(3)13(10(2)15-17)9-16-7-5-12(6-8-16)14(18)19/h12H,4-9H2,1-3H3,(H,18,19)