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

Systemtic Name: 4-[[(1-propylpyrazol-3-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(1-propylpyrazol-3-yl)methylammonio]methyl]benzoate CAS Name: 4-[[(1-propyl-3-pyrazolyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(1-propylpyrazol-3-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(1-propylpyrazol-3-yl)methylammonio]methyl]benzoate Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=N1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCN1C=CC(=N1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H19N3O2/c1-2-8-18-9-7-14(17-18)11-16-10-12-3-5-13(6-4-12)15(19)20/h3-7,9,16H,2,8,10-11H2,1H3,(H,19,20)