(2S)-2-phenyl-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethanoate

Systemtic Name: (2S)-2-phenyl-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethanoate Openeye Name: (2S)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)-2-phenyl-acetate CAS Name: (2S)-2-phenyl-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)acetate IUPAC Name: (2S)-2-phenyl-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)acetate Traditional Name: (2S)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)-2-phenyl-acetate Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=[N+](C=CN1)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H16N2O2/c1-10(2)13-15-8-9-16(13)12(14(17)18)11-6-4-3-5-7-11/h3-10,12H,1-2H3,(H,17,18)/t12-/m0/s1