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

Systemtic Name: 4-[[(1-methylpyrazol-3-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(1-methylpyrazol-3-yl)methylammonio]methyl]benzoate CAS Name: 4-[[(1-methyl-3-pyrazolyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(1-methylpyrazol-3-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(1-methylpyrazol-3-yl)methylammonio]methyl]benzoate Formula: C13H15N3O2 MolecularWeight: 245.2771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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