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

Systemtic Name: N-[benzotriazol-1-yloxy(pyrrolidin-1-ium-1-ylidene)methyl]-N-ethyl-ethanamine hexafluorophosphate Openeye Name: N-[benzotriazol-1-yloxy(pyrrolidin-1-ium-1-ylidene)methyl]-N-ethyl-ethanamine hexafluorophosphate CAS Name: N-[1-benzotriazolyloxy(1-pyrrolidin-1-iumylidene)methyl]-N-ethylethanamine hexafluorophosphate IUPAC Name: N-[benzotriazol-1-yloxy(pyrrolidin-1-ium-1-ylidene)methyl]-N-ethylethanamine hexafluorophosphate Traditional Name: [benzotriazol-1-yloxy(pyrrolidin-1-ium-1-ylidene)methyl]-diethyl-amine hexafluorophosphate Formula: C15H22F6N5OP MolecularWeight: 433.33226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=[N+]1CCCC1)ON2C3=CC=CC=C3N=N2.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCN(CC)C(=[N+]1CCCC1)ON2C3=CC=CC=C3N=N2.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C15H22N5O.F6P/c1-3-18(4-2)15(19-11-7-8-12-19)21-20-14-10-6-5-9-13(14)16-17-20;1-7(2,3,4,5)6/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3;/q+1;-1