4-[[(1-methylpyrazol-4-yl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(1-methylpyrazol-4-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(1-methylpyrazol-4-yl)methylammonio]methyl]benzoate CAS Name: 4-[[(1-methyl-4-pyrazolyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(1-methylpyrazol-4-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(1-methylpyrazol-4-yl)methylammonio]methyl]benzoate Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H15N3O2/c1-16-9-11(8-15-16)7-14-6-10-2-4-12(5-3-10)13(17)18/h2-5,8-9,14H,6-7H2,1H3,(H,17,18)