(2-azanyl-4-phenyl-pyrimidin-1-ium-1-yl) benzoate

Systemtic Name: (2-azanyl-4-phenyl-pyrimidin-1-ium-1-yl) benzoate Openeye Name: (2-amino-4-phenyl-pyrimidin-1-ium-1-yl) benzoate CAS Name: benzoic acid (2-amino-4-phenyl-1-pyrimidin-1-iumyl) ester IUPAC Name: (2-amino-4-phenylpyrimidin-1-ium-1-yl) benzoate Traditional Name: benzoic acid (2-amino-4-phenyl-pyrimidin-1-ium-1-yl) ester Formula: C17H14N3O2+ MolecularWeight: 292.31196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=[N+](C=C2)OC(=O)C3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=[N+](C=C2)OC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C17H13N3O2/c18-17-19-15(13-7-3-1-4-8-13)11-12-20(17)22-16(21)14-9-5-2-6-10-14/h1-12,18H/p+1