methyl 2-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoate tetrafluoroborate

Systemtic Name: methyl 2-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoate tetrafluoroborate Openeye Name: methyl 2-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoate tetrafluoroborate CAS Name: 2-(2,4,6-triphenyl-1-pyridin-1-iumyl)propanoic acid methyl ester tetrafluoroborate IUPAC Name: methyl 2-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoate tetrafluoroborate Traditional Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)propionic acid methyl ester tetrafluoroborate Formula: C27H24BF4NO2 MolecularWeight: 481.289573

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H24NO2.BF4/c1-20(27(29)30-2)28-25(22-14-8-4-9-15-22)18-24(21-12-6-3-7-13-21)19-26(28)23-16-10-5-11-17-23;2-1(3,4)5/h3-20H,1-2H3;/q+1;-1