2-(3-pyridin-1-ium-1-ylpropyl)-N-[6-[2-(3-pyridin-1-ium-1-ylpropyl)octanoylamino]hexyl]octanamide dibromide

Systemtic Name: 2-(3-pyridin-1-ium-1-ylpropyl)-N-[6-[2-(3-pyridin-1-ium-1-ylpropyl)octanoylamino]hexyl]octanamide dibromide Openeye Name: 2-(3-pyridin-1-ium-1-ylpropyl)-N-[6-[2-(3-pyridin-1-ium-1-ylpropyl)octanoylamino]hexyl]octanamide dibromide CAS Name: N-[6-[[1-oxo-2-[3-(1-pyridin-1-iumyl)propyl]octyl]amino]hexyl]-2-[3-(1-pyridin-1-iumyl)propyl]octanamide dibromide IUPAC Name: 2-(3-pyridin-1-ium-1-ylpropyl)-N-[6-[2-(3-pyridin-1-ium-1-ylpropyl)octanoylamino]hexyl]octanamide dibromide Traditional Name: 2-(3-pyridin-1-ium-1-ylpropyl)-N-[6-[2-(3-pyridin-1-ium-1-ylpropyl)octanoylamino]hexyl]caprylamide dibromide Formula: C38H64Br2N4O2 MolecularWeight: 768.74836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC[N+]1=CC=CC=C1)C(=O)NCCCCCCNC(=O)C(CCCCCC)CCC[N+]2=CC=CC=C2.[Br-].[Br-]

Isomeric SMILES

CCCCCCC(CCC[N+]1=CC=CC=C1)C(=O)NCCCCCCNC(=O)C(CCCCCC)CCC[N+]2=CC=CC=C2.[Br-].[Br-]

InChI

InChI=1S/C38H62N4O2.2BrH/c1-3-5-7-13-23-35(25-21-33-41-29-17-11-18-30-41)37(43)39-27-15-9-10-16-28-40-38(44)36(24-14-8-6-4-2)26-22-34-42-31-19-12-20-32-42;;/h11-12,17-20,29-32,35-36H,3-10,13-16,21-28,33-34H2,1-2H3;2*1H