1,4-bis[bis(piperidin-1-id-2-ylmethyl)amino]butan-2-ol; cyclohexylmethanediol; iron(4+)

Systemtic Name: 1,4-bis[bis(piperidin-1-id-2-ylmethyl)amino]butan-2-ol; cyclohexylmethanediol; iron(4+) Openeye Name: 1,4-bis[bis(piperidin-1-id-2-ylmethyl)amino]butan-2-ol; cyclohexylmethanediol; iron(4+) CAS Name: 1,4-bis[bis(2-piperidin-1-idylmethyl)amino]-2-butanol; cyclohexylmethanediol; iron(4+) IUPAC Name: 1,4-bis[bis(piperidin-1-id-2-ylmethyl)amino]butan-2-ol; cyclohexylmethanediol; iron(4+) Traditional Name: 1,4-bis[bis(piperidin-1-id-2-ylmethyl)amino]butan-2-ol; cyclohexylmethanediol; iron(4+) Formula: C42H80Fe2N6O5+4 MolecularWeight: 860.8118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(O)O.C1CCC(CC1)C(O)O.C1CC[N-]C(C1)CN(CCC(CN(CC2CCCC[N-]2)CC3CCCC[N-]3)O)CC4CCCC[N-]4.[Fe+4].[Fe+4]

Isomeric SMILES

C1CCC(CC1)C(O)O.C1CCC(CC1)C(O)O.C1CC[N-]C(C1)CN(CCC(CN(CC2CCCC[N-]2)CC3CCCC[N-]3)O)CC4CCCC[N-]4.[Fe+4].[Fe+4]

InChI

InChI=1S/C28H52N6O.2C7H14O2.2Fe/c35-28(23-34(21-26-11-3-7-16-31-26)22-27-12-4-8-17-32-27)13-18-33(19-24-9-1-5-14-29-24)20-25-10-2-6-15-30-25;2*8-7(9)6-4-2-1-3-5-6;;/h24-28,35H,1-23H2;2*6-9H,1-5H2;;/q-4;;;2*+4