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

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

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)CCOC(=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.C1=CC=C(C=C1)CCOC(=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/c40-38(41-26-25-29-13-5-1-6-14-29)33-21-23-35(24-22-33)39-36(31-17-9-3-10-18-31)27-34(30-15-7-2-8-16-30)28-37(39)32-19-11-4-12-20-32;2-1(3,4)5/h1-24,27-28H,25-26H2;/q+1;-1