4-[2-(1-butylpyridin-1-ium-4-yl)ethynyl]-N,N-bis(4-methoxyphenyl)aniline hexafluorophosphate

Systemtic Name: 4-[2-(1-butylpyridin-1-ium-4-yl)ethynyl]-N,N-bis(4-methoxyphenyl)aniline hexafluorophosphate Openeye Name: 4-[2-(1-butylpyridin-1-ium-4-yl)ethynyl]-N,N-bis(4-methoxyphenyl)aniline hexafluorophosphate CAS Name: 4-[2-(1-butyl-4-pyridin-1-iumyl)ethynyl]-N,N-bis(4-methoxyphenyl)aniline hexafluorophosphate IUPAC Name: 4-[2-(1-butylpyridin-1-ium-4-yl)ethynyl]-N,N-bis(4-methoxyphenyl)aniline hexafluorophosphate Traditional Name: [4-[2-(1-butylpyridin-1-ium-4-yl)ethynyl]phenyl]-bis(4-methoxyphenyl)amine hexafluorophosphate Formula: C31H31F6N2O2P MolecularWeight: 608.55422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C#CC2=CC=C(C=C2)N(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)C#CC2=CC=C(C=C2)N(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C31H31N2O2.F6P/c1-4-5-22-32-23-20-26(21-24-32)7-6-25-8-10-27(11-9-25)33(28-12-16-30(34-2)17-13-28)29-14-18-31(35-3)19-15-29;1-7(2,3,4,5)6/h8-21,23-24H,4-5,22H2,1-3H3;/q+1;-1