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

Systemtic Name: 2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]-1,6-bis(4-propoxyphenyl)hexane-1,6-dione diiodide Openeye Name: 2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]-1,6-bis(4-propoxyphenyl)hexane-1,6-dione diiodide CAS Name: 2,5-bis[(1-methyl-1-azepan-1-iumyl)methyl]-1,6-bis(4-propoxyphenyl)hexane-1,6-dione diiodide IUPAC Name: 2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]-1,6-bis(4-propoxyphenyl)hexane-1,6-dione diiodide Traditional Name: 2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]-1,6-bis(4-propoxyphenyl)hexane-1,6-dione diiodide Formula: C40H62I2N2O4 MolecularWeight: 888.74022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(CCC(C[N+]2(CCCCCC2)C)C(=O)C3=CC=C(C=C3)OCCC)C[N+]4(CCCCCC4)C.[I-].[I-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(CCC(C[N+]2(CCCCCC2)C)C(=O)C3=CC=C(C=C3)OCCC)C[N+]4(CCCCCC4)C.[I-].[I-]

InChI

InChI=1S/C40H62N2O4.2HI/c1-5-29-45-37-21-17-33(18-22-37)39(43)35(31-41(3)25-11-7-8-12-26-41)15-16-36(32-42(4)27-13-9-10-14-28-42)40(44)34-19-23-38(24-20-34)46-30-6-2;;/h17-24,35-36H,5-16,25-32H2,1-4H3;2*1H/q+2;;/p-2