1-chloranyl-N-methyl-N,N',N'-tris[(3-methylpyridin-2-yl)methyl]ethane-1,2-diamine; iron(3+); trihexafluorophosphate

Systemtic Name: 1-chloranyl-N-methyl-N,N',N'-tris[(3-methylpyridin-2-yl)methyl]ethane-1,2-diamine; iron(3+); trihexafluorophosphate Openeye Name: ferric 1-chloro-N-methyl-N,N',N'-tris[(3-methyl-2-pyridyl)methyl]ethane-1,2-diamine trihexafluorophosphate CAS Name: 1-chloro-N-methyl-N,N',N'-tris[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine; iron(3+); trihexafluorophosphate IUPAC Name: 1-chloro-N-methyl-N,N',N'-tris[(3-methylpyridin-2-yl)methyl]ethane-1,2-diamine; iron(3+); trihexafluorophosphate Traditional Name: ferric [2-[bis[(3-methyl-2-pyridyl)methyl]amino]-1-chloro-ethyl]-methyl-[(3-methyl-2-pyridyl)methyl]amine trihexafluorophosphate Formula: C24H30ClF18FeN5P3 MolecularWeight: 914.719041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CN(C)C(CN(CC2=C(C=CC=N2)C)CC3=C(C=CC=N3)C)Cl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+3]

Isomeric SMILES

CC1=C(N=CC=C1)CN(C)C(CN(CC2=C(C=CC=N2)C)CC3=C(C=CC=N3)C)Cl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+3]

InChI

InChI=1S/C24H30ClN5.3F6P.Fe/c1-18-8-5-11-26-21(18)14-29(4)24(25)17-30(15-22-19(2)9-6-12-27-22)16-23-20(3)10-7-13-28-23;3*1-7(2,3,4,5)6;/h5-13,24H,14-17H2,1-4H3;;;;/q;3*-1;+3