(2-azanyl-2-oxidanylidene-ethyl) 4-[4-(4-fluorophenyl)-1,1-dimethyl-5-pyridin-4-yl-imidazol-1-ium-2-yl]benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-[4-(4-fluorophenyl)-1,1-dimethyl-5-pyridin-4-yl-imidazol-1-ium-2-yl]benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-[4-(4-fluorophenyl)-1,1-dimethyl-5-(4-pyridyl)imidazol-1-ium-2-yl]benzoate CAS Name: 4-[4-(4-fluorophenyl)-1,1-dimethyl-5-pyridin-4-yl-2-imidazol-1-iumyl]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-[4-(4-fluorophenyl)-1,1-dimethyl-5-pyridin-4-ylimidazol-1-ium-2-yl]benzoate Traditional Name: 4-[4-(4-fluorophenyl)-1,1-dimethyl-5-(4-pyridyl)imidazol-1-ium-2-yl]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C25H22FN4O3+ MolecularWeight: 445.465583

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=C(N=C1C2=CC=C(C=C2)C(=O)OCC(=O)N)C3=CC=C(C=C3)F)C4=CC=NC=C4)C

Isomeric SMILES

C[N+]1(C(=C(N=C1C2=CC=C(C=C2)C(=O)OCC(=O)N)C3=CC=C(C=C3)F)C4=CC=NC=C4)C

InChI

InChI=1S/C25H21FN4O3/c1-30(2)23(17-11-13-28-14-12-17)22(16-7-9-20(26)10-8-16)29-24(30)18-3-5-19(6-4-18)25(32)33-15-21(27)31/h3-14H,15H2,1-2H3,(H-,27,31)/p+1