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

Systemtic Name: (2S)-2-[(2-methyl-6-phenyl-pyrimidin-1-ium-4-yl)azaniumyl]propanoate Openeye Name: (2S)-2-[(2-methyl-6-phenyl-pyrimidin-1-ium-4-yl)ammonio]propanoate CAS Name: (2S)-2-[(2-methyl-6-phenyl-4-pyrimidin-1-iumyl)ammonio]propanoate IUPAC Name: (2S)-2-[(2-methyl-6-phenylpyrimidin-1-ium-4-yl)azaniumyl]propanoate Traditional Name: (2S)-2-[(2-methyl-6-phenyl-pyrimidin-1-ium-4-yl)ammonio]propionate Formula: C14H16N3O2+ MolecularWeight: 258.29574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O2/c1-9(14(18)19)15-13-8-12(16-10(2)17-13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,18,19)(H,15,16,17)/p+1/t9-/m0/s1