4-[[(3-pyrimidin-2-yloxyphenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-pyrimidin-2-yloxyphenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(3-pyrimidin-2-yloxyphenyl)methylammonio]methyl]benzoate CAS Name: 4-[[[3-(2-pyrimidinyloxy)phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-pyrimidin-2-yloxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[3-(2-pyrimidyloxy)benzyl]ammonio]methyl]benzoate Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC=CC=N2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC=CC=N2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H17N3O3/c23-18(24)16-7-5-14(6-8-16)12-20-13-15-3-1-4-17(11-15)25-19-21-9-2-10-22-19/h1-11,20H,12-13H2,(H,23,24)