cyclopentane; 4,6-di(cyclopentyl)-2-methyl-5-piperidin-1-yl-1,2,3-triazin-2-ium; iron(2+); iodide

Systemtic Name: cyclopentane; 4,6-di(cyclopentyl)-2-methyl-5-piperidin-1-yl-1,2,3-triazin-2-ium; iron(2+); iodide Openeye Name: diferrous; cyclopentane; 4,6-di(cyclopentyl)-2-methyl-5-(1-piperidyl)triazin-2-ium; iodide CAS Name: cyclopentane; 4,6-di(cyclopentyl)-2-methyl-5-(1-piperidinyl)triazin-2-ium; iron(2+); iodide IUPAC Name: cyclopentane; 4,6-di(cyclopentyl)-2-methyl-5-piperidin-1-yltriazin-2-ium; iron(2+); iodide Traditional Name: diferrous; cyclopentane; 4,6-di(cyclopentyl)-2-methyl-5-piperidino-triazin-2-ium; iodide Formula: C29H31Fe2IN4+4 MolecularWeight: 674.17771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC(=C(C(=N1)[C]2[CH][CH][CH][CH]2)N3CCCCC3)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].[I-]

Isomeric SMILES

C[N+]1=NC(=C(C(=N1)[C]2[CH][CH][CH][CH]2)N3CCCCC3)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].[I-]

InChI

InChI=1S/C19H21N4.2C5H5.2Fe.HI/c1-22-20-17(15-9-3-4-10-15)19(23-13-7-2-8-14-23)18(21-22)16-11-5-6-12-16;2*1-2-4-5-3-1;;;/h3-6,9-12H,2,7-8,13-14H2,1H3;2*1-5H;;;1H/q+1;;;2*+2;/p-1