4-[[(1,3-dimethylpyrazol-4-yl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(1,3-dimethylpyrazol-4-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(1,3-dimethylpyrazol-4-yl)methylammonio]methyl]benzoate CAS Name: 4-[[(1,3-dimethyl-4-pyrazolyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(1,3-dimethylpyrazol-4-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(1,3-dimethylpyrazol-4-yl)methylammonio]methyl]benzoate Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])C

InChI

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