iron(2+); 2-(4-methylpiperidin-1-yl)ethyl cyclopentanecarboxylate

Systemtic Name: iron(2+); 2-(4-methylpiperidin-1-yl)ethyl cyclopentanecarboxylate Openeye Name: ferrous 2-(4-methyl-1-piperidyl)ethyl cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid 2-(4-methyl-1-piperidinyl)ethyl ester; iron(2+) IUPAC Name: iron(2+); 2-(4-methylpiperidin-1-yl)ethyl cyclopentanecarboxylate Traditional Name: ferrous cyclopentanecarboxylic acid 2-(4-methylpiperidino)ethyl ester Formula: C28H40FeN2O4+2 MolecularWeight: 524.4732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCOC(=O)[C]2[CH][CH][CH][CH]2.CC1CCN(CC1)CCOC(=O)[C]2[CH][CH][CH][CH]2.[Fe+2]

Isomeric SMILES

CC1CCN(CC1)CCOC(=O)[C]2[CH][CH][CH][CH]2.CC1CCN(CC1)CCOC(=O)[C]2[CH][CH][CH][CH]2.[Fe+2]

InChI

InChI=1S/2C14H20NO2.Fe/c2*1-12-6-8-15(9-7-12)10-11-17-14(16)13-4-2-3-5-13;/h2*2-5,12H,6-11H2,1H3;/q;;+2