2-[(2-methyl-6-phenyl-pyrimidin-1-ium-4-yl)azaniumyl]ethanoate

Systemtic Name: 2-[(2-methyl-6-phenyl-pyrimidin-1-ium-4-yl)azaniumyl]ethanoate Openeye Name: 2-[(2-methyl-6-phenyl-pyrimidin-1-ium-4-yl)ammonio]acetate CAS Name: 2-[(2-methyl-6-phenyl-4-pyrimidin-1-iumyl)ammonio]acetate IUPAC Name: 2-[(2-methyl-6-phenylpyrimidin-1-ium-4-yl)azaniumyl]acetate Traditional Name: 2-[(2-methyl-6-phenyl-pyrimidin-1-ium-4-yl)ammonio]acetate Formula: C13H14N3O2+ MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC(=N1)[NH2+]CC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC1=[NH+]C(=CC(=N1)[NH2+]CC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O2/c1-9-15-11(10-5-3-2-4-6-10)7-12(16-9)14-8-13(17)18/h2-7H,8H2,1H3,(H,17,18)(H,14,15,16)/p+1