1-phenylethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate tetrafluoroborate

Systemtic Name: 1-phenylethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate tetrafluoroborate Openeye Name: 1-phenylethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate tetrafluoroborate CAS Name: 4-(2,4,6-triphenyl-1-pyridin-1-iumyl)benzoic acid 1-phenylethyl ester tetrafluoroborate IUPAC Name: 1-phenylethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate tetrafluoroborate Traditional Name: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoic acid 1-phenylethyl ester tetrafluoroborate Formula: C38H30BF4NO2 MolecularWeight: 619.454913

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

[B-](F)(F)(F)F.CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H30NO2.BF4/c1-28(29-14-6-2-7-15-29)41-38(40)33-22-24-35(25-23-33)39-36(31-18-10-4-11-19-31)26-34(30-16-8-3-9-17-30)27-37(39)32-20-12-5-13-21-32;2-1(3,4)5/h2-28H,1H3;/q+1;-1