1-[8-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]octyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide dibromide

Systemtic Name: 1-[8-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]octyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide dibromide Openeye Name: 1-[8-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]octyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide dibromide CAS Name: 1-[8-[3-[diethylamino(oxo)methyl]-1-pyridin-1-iumyl]octyl]-N,N-diethyl-3-pyridin-1-iumcarboxamide dibromide IUPAC Name: 1-[8-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]octyl]-N,N-diethylpyridin-1-ium-3-carboxamide dibromide Traditional Name: 1-[8-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]octyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide dibromide Formula: C28H44Br2N4O2 MolecularWeight: 628.48256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C[N+](=CC=C1)CCCCCCCC[N+]2=CC=CC(=C2)C(=O)N(CC)CC.[Br-].[Br-]

Isomeric SMILES

CCN(CC)C(=O)C1=C[N+](=CC=C1)CCCCCCCC[N+]2=CC=CC(=C2)C(=O)N(CC)CC.[Br-].[Br-]

InChI

InChI=1S/C28H44N4O2.2BrH/c1-5-31(6-2)27(33)25-17-15-21-29(23-25)19-13-11-9-10-12-14-20-30-22-16-18-26(24-30)28(34)32(7-3)8-4;;/h15-18,21-24H,5-14,19-20H2,1-4H3;2*1H/q+2;;/p-2