3-[piperidin-1-ium-1-ylidene(piperidin-1-yl)methoxy]-1,2,3-benzotriazin-4-one hexafluorophosphate

Systemtic Name: 3-[piperidin-1-ium-1-ylidene(piperidin-1-yl)methoxy]-1,2,3-benzotriazin-4-one hexafluorophosphate Openeye Name: 3-[piperidin-1-ium-1-ylidene(1-piperidyl)methoxy]-1,2,3-benzotriazin-4-one hexafluorophosphate CAS Name: 3-[1-piperidin-1-iumylidene(1-piperidinyl)methoxy]-1,2,3-benzotriazin-4-one hexafluorophosphate IUPAC Name: 3-[piperidin-1-ium-1-ylidene(piperidin-1-yl)methoxy]-1,2,3-benzotriazin-4-one hexafluorophosphate Traditional Name: 3-[piperidin-1-ium-1-ylidene(piperidino)methoxy]-1,2,3-benzotriazin-4-one hexafluorophosphate Formula: C18H24F6N5O2P MolecularWeight: 487.37964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=[N+]2CCCCC2)ON3C(=O)C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1CCN(CC1)C(=[N+]2CCCCC2)ON3C(=O)C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C18H24N5O2.F6P/c24-17-15-9-3-4-10-16(15)19-20-23(17)25-18(21-11-5-1-6-12-21)22-13-7-2-8-14-22;1-7(2,3,4,5)6/h3-4,9-10H,1-2,5-8,11-14H2;/q+1;-1