2,4-bis[(1-methylazepan-1-ium-1-yl)methyl]-1,5-diphenyl-pentane-1,5-dione diiodide

Systemtic Name: 2,4-bis[(1-methylazepan-1-ium-1-yl)methyl]-1,5-diphenyl-pentane-1,5-dione diiodide Openeye Name: 2,4-bis[(1-methylazepan-1-ium-1-yl)methyl]-1,5-diphenyl-pentane-1,5-dione diiodide CAS Name: 2,4-bis[(1-methyl-1-azepan-1-iumyl)methyl]-1,5-diphenylpentane-1,5-dione diiodide IUPAC Name: 2,4-bis[(1-methylazepan-1-ium-1-yl)methyl]-1,5-diphenylpentane-1,5-dione diiodide Traditional Name: 2,4-bis[(1-methylazepan-1-ium-1-yl)methyl]-1,5-diphenyl-pentane-1,5-dione diiodide Formula: C33H48I2N2O2 MolecularWeight: 758.55536

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC(CC(C[N+]2(CCCCCC2)C)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCCCC1)CC(CC(C[N+]2(CCCCCC2)C)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.[I-].[I-]

InChI

InChI=1S/C33H48N2O2.2HI/c1-34(21-13-3-4-14-22-34)26-30(32(36)28-17-9-7-10-18-28)25-31(33(37)29-19-11-8-12-20-29)27-35(2)23-15-5-6-16-24-35;;/h7-12,17-20,30-31H,3-6,13-16,21-27H2,1-2H3;2*1H/q+2;;/p-2