2-[1-[(2-ethyl-5-methyl-pyrazol-3-yl)methyl]piperidin-1-ium-4-yl]ethanoate

Systemtic Name: 2-[1-[(2-ethyl-5-methyl-pyrazol-3-yl)methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-[(2-ethyl-5-methyl-pyrazol-3-yl)methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[(2-ethyl-5-methyl-3-pyrazolyl)methyl]-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-[(2-ethyl-5-methyl-pyrazol-3-yl)methyl]piperidin-1-ium-4-yl]acetate Formula: C14H23N3O2 MolecularWeight: 265.35132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O2/c1-3-17-13(8-11(2)15-17)10-16-6-4-12(5-7-16)9-14(18)19/h8,12H,3-7,9-10H2,1-2H3,(H,18,19)