2-[4,5-dimethyl-3-oxidanidyl-2-(4-propan-2-ylphenyl)imidazol-3-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4,5-dimethyl-3-oxidanidyl-2-(4-propan-2-ylphenyl)imidazol-3-ium-1-yl]ethanoic acid Openeye Name: 2-[2-(4-isopropylphenyl)-4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl]acetic acid CAS Name: 2-[4,5-dimethyl-3-oxido-2-(4-propan-2-ylphenyl)-1-imidazol-3-iumyl]acetic acid IUPAC Name: 2-[4,5-dimethyl-3-oxido-2-(4-propan-2-ylphenyl)imidazol-3-ium-1-yl]acetic acid Traditional Name: 2-(4,5-dimethyl-3-oxido-2-p-cumenyl-imidazol-3-ium-1-yl)acetic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(N1CC(=O)O)C2=CC=C(C=C2)C(C)C)[O-])C

Isomeric SMILES

CC1=C([N+](=C(N1CC(=O)O)C2=CC=C(C=C2)C(C)C)[O-])C

InChI

InChI=1S/C16H20N2O3/c1-10(2)13-5-7-14(8-6-13)16-17(9-15(19)20)11(3)12(4)18(16)21/h5-8,10H,9H2,1-4H3,(H,19,20)