(2R)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-3-phenyl-propanoate

Systemtic Name: (2R)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-3-phenyl-propanoate Openeye Name: (2R)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-3-phenyl-propanoate CAS Name: (2R)-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)-3-phenylpropanoate IUPAC Name: (2R)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-3-phenylpropanoate Traditional Name: (2R)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-3-phenyl-propionate Formula: C14H15N2O3- MolecularWeight: 259.2805

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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)/p-1/t13-/m1/s1