4-[[(2-ethylpyrazol-3-yl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(2-ethylpyrazol-3-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(2-ethylpyrazol-3-yl)methylammonio]methyl]benzoate CAS Name: 4-[[(2-ethyl-3-pyrazolyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(2-ethylpyrazol-3-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(2-ethylpyrazol-3-yl)methylammonio]methyl]benzoate Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCN1C(=CC=N1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H17N3O2/c1-2-17-13(7-8-16-17)10-15-9-11-3-5-12(6-4-11)14(18)19/h3-8,15H,2,9-10H2,1H3,(H,18,19)