4-[[(1-ethyl-5-methyl-pyrazol-4-yl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(1-ethyl-5-methyl-pyrazol-4-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(1-ethyl-5-methyl-pyrazol-4-yl)methylammonio]methyl]benzoate CAS Name: 4-[[(1-ethyl-5-methyl-4-pyrazolyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(1-ethyl-5-methylpyrazol-4-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(1-ethyl-5-methyl-pyrazol-4-yl)methylammonio]methyl]benzoate Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2/c1-3-18-11(2)14(10-17-18)9-16-8-12-4-6-13(7-5-12)15(19)20/h4-7,10,16H,3,8-9H2,1-2H3,(H,19,20)