[azanyl(11-cyclopentylundecylsulfanyl)methylidene]azanium; cyclopentane; iron(2+); bromide

Systemtic Name: [azanyl(11-cyclopentylundecylsulfanyl)methylidene]azanium; cyclopentane; iron(2+); bromide Openeye Name: ferrous; [amino(11-cyclopentylundecylsulfanyl)methylene]ammonium; cyclopentane; bromide CAS Name: [amino-(11-cyclopentylundecylthio)methylidene]ammonium; cyclopentane; iron(2+); bromide IUPAC Name: [amino(11-cyclopentylundecylsulfanyl)methylidene]azanium; cyclopentane; iron(2+); bromide Traditional Name: ferrous; [amino-(11-cyclopentylundecylthio)methylene]ammonium; cyclopentane; bromide Formula: C22H35BrFeN2S+2 MolecularWeight: 495.3407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)CCCCCCCCCCCSC(=[NH2+])N.[Fe+2].[Br-]

Isomeric SMILES

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)CCCCCCCCCCCSC(=[NH2+])N.[Fe+2].[Br-]

InChI

InChI=1S/C17H29N2S.C5H5.BrH.Fe/c18-17(19)20-15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16;1-2-4-5-3-1;;/h9-10,13-14H,1-8,11-12,15H2,(H3,18,19);1-5H;1H;/q;;;+2