1,6-bis(4-fluorophenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione

Systemtic Name: 1,6-bis(4-fluorophenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione Openeye Name: 1,6-bis(4-fluorophenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione CAS Name: 1,6-bis(4-fluorophenyl)-2,5-bis[(1-methyl-1-azepan-1-iumyl)methyl]hexane-1,6-dione IUPAC Name: 1,6-bis(4-fluorophenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione Traditional Name: 1,6-bis(4-fluorophenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione Formula: C34H48F2N2O2+2 MolecularWeight: 554.753926

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC(CCC(C[N+]2(CCCCCC2)C)C(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[N+]1(CCCCCC1)CC(CCC(C[N+]2(CCCCCC2)C)C(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C34H48F2N2O2/c1-37(21-7-3-4-8-22-37)25-29(33(39)27-13-17-31(35)18-14-27)11-12-30(26-38(2)23-9-5-6-10-24-38)34(40)28-15-19-32(36)20-16-28/h13-20,29-30H,3-12,21-26H2,1-2H3/q+2