(2S)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-3-phenyl-propanoic acid Openeye Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-3-phenyl-propanoic acid CAS Name: (2S)-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)-3-phenylpropanoic acid IUPAC Name: (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-3-phenylpropanoic acid Traditional Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-3-phenyl-propionic acid Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CN1C(CC2=CC=CC=C2)C(=O)O)[O-])C

Isomeric SMILES

CC1=C([N+](=CN1[C@@H](CC2=CC=CC=C2)C(=O)O)[O-])C

InChI

InChI=1S/C14H16N2O3/c1-10-11(2)16(19)9-15(10)13(14(17)18)8-12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,17,18)/t13-/m0/s1