2-pyridin-1-ium-1-ylethyl 4-methanoylbenzoate hexafluorophosphate

Systemtic Name: 2-pyridin-1-ium-1-ylethyl 4-methanoylbenzoate hexafluorophosphate Openeye Name: 2-pyridin-1-ium-1-ylethyl 4-formylbenzoate hexafluorophosphate CAS Name: 4-formylbenzoic acid 2-(1-pyridin-1-iumyl)ethyl ester hexafluorophosphate IUPAC Name: 2-pyridin-1-ium-1-ylethyl 4-formylbenzoate hexafluorophosphate Traditional Name: 4-formylbenzoic acid 2-pyridin-1-ium-1-ylethyl ester hexafluorophosphate Formula: C15H14F6NO3P MolecularWeight: 401.24074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCOC(=O)C2=CC=C(C=C2)C=O.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1=CC=[N+](C=C1)CCOC(=O)C2=CC=C(C=C2)C=O.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C15H14NO3.F6P/c17-12-13-4-6-14(7-5-13)15(18)19-11-10-16-8-2-1-3-9-16;1-7(2,3,4,5)6/h1-9,12H,10-11H2;/q+1;-1