2-[(6-phenylpyrimidin-1-ium-4-yl)azaniumyl]ethanoate

Systemtic Name: 2-[(6-phenylpyrimidin-1-ium-4-yl)azaniumyl]ethanoate Openeye Name: 2-[(6-phenylpyrimidin-1-ium-4-yl)ammonio]acetate CAS Name: 2-[(6-phenyl-4-pyrimidin-1-iumyl)ammonio]acetate IUPAC Name: 2-[(6-phenylpyrimidin-1-ium-4-yl)azaniumyl]acetate Traditional Name: 2-[(6-phenylpyrimidin-1-ium-4-yl)ammonio]acetate Formula: C12H12N3O2+ MolecularWeight: 230.24258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=[NH+]2)[NH2+]CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=[NH+]2)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C12H11N3O2/c16-12(17)7-13-11-6-10(14-8-15-11)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,16,17)(H,13,14,15)/p+1