(2S)-4-(4-cyclohexylphenyl)-2-(1H-imidazol-3-ium-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(4-cyclohexylphenyl)-2-(1H-imidazol-3-ium-3-yl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-cyclohexylphenyl)-2-(1H-imidazol-3-ium-3-yl)-4-oxo-butanoate CAS Name: (2S)-4-(4-cyclohexylphenyl)-2-(1H-imidazol-3-ium-3-yl)-4-oxobutanoate IUPAC Name: (2S)-4-(4-cyclohexylphenyl)-2-(1H-imidazol-3-ium-3-yl)-4-oxobutanoate Traditional Name: (2S)-4-(4-cyclohexylphenyl)-2-(1H-imidazol-3-ium-3-yl)-4-keto-butyrate Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CC(C(=O)[O-])[N+]3=CNC=C3

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[C@@H](C(=O)[O-])[N+]3=CNC=C3

InChI

InChI=1S/C19H22N2O3/c22-18(12-17(19(23)24)21-11-10-20-13-21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14,17H,1-5,12H2,(H,23,24)/t17-/m0/s1