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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2/c1-9(13(17)18)16-12-7-11(14-8-15-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,18)(H,14,15,16)/p+1/t9-/m0/s1