ethyl 3-phenyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoate tetrafluoroborate

Systemtic Name: ethyl 3-phenyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoate tetrafluoroborate Openeye Name: ethyl 3-phenyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoate tetrafluoroborate CAS Name: 3-phenyl-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)propanoic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 3-phenyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoate tetrafluoroborate Traditional Name: 3-phenyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)propionic acid ethyl ester tetrafluoroborate Formula: C34H30BF4NO2 MolecularWeight: 571.412113

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C(CC1=CC=CC=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C(CC1=CC=CC=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H30NO2.BF4/c1-2-37-34(36)33(23-26-15-7-3-8-16-26)35-31(28-19-11-5-12-20-28)24-30(27-17-9-4-10-18-27)25-32(35)29-21-13-6-14-22-29;2-1(3,4)5/h3-22,24-25,33H,2,23H2,1H3;/q+1;-1