ethyl 2,2-dimethyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate tetrafluoroborate

Systemtic Name: ethyl 2,2-dimethyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate tetrafluoroborate Openeye Name: ethyl 2,2-dimethyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate tetrafluoroborate CAS Name: 2,2-dimethyl-4-(2,4,6-triphenyl-1-pyridin-1-iumyl)butanoic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 2,2-dimethyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate tetrafluoroborate Traditional Name: 2,2-dimethyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)butyric acid ethyl ester tetrafluoroborate Formula: C31H32BF4NO2 MolecularWeight: 537.395893

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C(C)(C)CC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C(C)(C)CC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H32NO2.BF4/c1-4-34-30(33)31(2,3)20-21-32-28(25-16-10-6-11-17-25)22-27(24-14-8-5-9-15-24)23-29(32)26-18-12-7-13-19-26;2-1(3,4)5/h5-19,22-23H,4,20-21H2,1-3H3;/q+1;-1