2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-1-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]ethanoyl]phenyl]phenyl]ethanone dibromide

Systemtic Name: 2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-1-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]ethanoyl]phenyl]phenyl]ethanone dibromide Openeye Name: 2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-1-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]acetyl]phenyl]phenyl]ethanone dibromide CAS Name: 2-[4-(hydroxymethyl)-1-piperidin-1-iumyl]-1-[4-[4-[2-[4-(hydroxymethyl)-1-piperidin-1-iumyl]-1-oxoethyl]phenyl]phenyl]ethanone dibromide IUPAC Name: 2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-1-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]acetyl]phenyl]phenyl]ethanone dibromide Traditional Name: 2-(4-methylolpiperidin-1-ium-1-yl)-1-[4-[4-[2-(4-methylolpiperidin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone dibromide Formula: C28H38Br2N2O4 MolecularWeight: 626.42032

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CO)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[NH+]4CCC(CC4)CO.[Br-].[Br-]

Isomeric SMILES

C1C[NH+](CCC1CO)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[NH+]4CCC(CC4)CO.[Br-].[Br-]

InChI

InChI=1S/C28H36N2O4.2BrH/c31-19-21-9-13-29(14-10-21)17-27(33)25-5-1-23(2-6-25)24-3-7-26(8-4-24)28(34)18-30-15-11-22(20-32)12-16-30;;/h1-8,21-22,31-32H,9-20H2;2*1H