ethyl 2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]ethanoate tetrafluoroborate

Systemtic Name: ethyl 2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]ethanoate tetrafluoroborate Openeye Name: ethyl 2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]acetate tetrafluoroborate CAS Name: 2-[(2,4,6-triphenyl-1-pyridin-1-iumyl)amino]acetic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]acetate tetrafluoroborate Traditional Name: 2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]acetic acid ethyl ester tetrafluoroborate Formula: C27H25BF4N2O2 MolecularWeight: 496.304213

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H25N2O2.BF4/c1-2-31-27(30)20-28-29-25(22-14-8-4-9-15-22)18-24(21-12-6-3-7-13-21)19-26(29)23-16-10-5-11-17-23;2-1(3,4)5/h3-19,28H,2,20H2,1H3;/q+1;-1