1,4-bis(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1,4-bis(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1,4-bis(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperazine-1,4-diium CAS Name: 1,4-bis(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperazine-1,4-diium IUPAC Name: 1,4-bis(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1,4-bis(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)piperazine-1,4-diium Formula: C24H32N2O4+2 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2OCC3=CC=CC=C3CO2)CC4OCC5=CC=CC=C5CO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2OCC3=CC=CC=C3CO2)CC4OCC5=CC=CC=C5CO4

InChI

InChI=1S/C24H30N2O4/c1-2-6-20-16-28-23(27-15-19(20)5-1)13-25-9-11-26(12-10-25)14-24-29-17-21-7-3-4-8-22(21)18-30-24/h1-8,23-24H,9-18H2/p+2