N-butyl-4-methyl-aniline; cyclopentane; iron(2+); hexafluorophosphate

Systemtic Name: N-butyl-4-methyl-aniline; cyclopentane; iron(2+); hexafluorophosphate Openeye Name: ferrous; N-butyl-4-methyl-aniline; cyclopentane; hexafluorophosphate CAS Name: N-butyl-4-methylaniline; cyclopentane; iron(2+); hexafluorophosphate IUPAC Name: N-butyl-4-methylaniline; cyclopentane; iron(2+); hexafluorophosphate Traditional Name: ferrous; butyl(p-tolyl)amine; cyclopentane; hexafluorophosphate Formula: C16H22F6FeNP+ MolecularWeight: 429.16176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

InChI

InChI=1S/C11H17N.C5H5.F6P.Fe/c1-3-4-9-12-11-7-5-10(2)6-8-11;1-2-4-5-3-1;1-7(2,3,4,5)6;/h5-8,12H,3-4,9H2,1-2H3;1-5H;;/q;;-1;+2