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

Systemtic Name: (2S)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-3-(4-hydroxyphenyl)propionic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-9-10(2)16(20)8-15(9)13(14(18)19)7-11-3-5-12(17)6-4-11/h3-6,8,13,17H,7H2,1-2H3,(H,18,19)/t13-/m0/s1