N-[benzotriazol-1-yloxy(piperidin-1-ium-1-ylidene)methyl]-N-ethyl-ethanamine hexafluorophosphate

Systemtic Name: N-[benzotriazol-1-yloxy(piperidin-1-ium-1-ylidene)methyl]-N-ethyl-ethanamine hexafluorophosphate Openeye Name: N-[benzotriazol-1-yloxy(piperidin-1-ium-1-ylidene)methyl]-N-ethyl-ethanamine hexafluorophosphate CAS Name: N-[1-benzotriazolyloxy(1-piperidin-1-iumylidene)methyl]-N-ethylethanamine hexafluorophosphate IUPAC Name: N-[benzotriazol-1-yloxy(piperidin-1-ium-1-ylidene)methyl]-N-ethylethanamine hexafluorophosphate Traditional Name: [benzotriazol-1-yloxy(piperidin-1-ium-1-ylidene)methyl]-diethyl-amine hexafluorophosphate Formula: C16H24F6N5OP MolecularWeight: 447.35884

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=[N+]1CCCCC1)ON2C3=CC=CC=C3N=N2.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCN(CC)C(=[N+]1CCCCC1)ON2C3=CC=CC=C3N=N2.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C16H24N5O.F6P/c1-3-19(4-2)16(20-12-8-5-9-13-20)22-21-15-11-7-6-10-14(15)17-18-21;1-7(2,3,4,5)6/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3;/q+1;-1