1-[4-(3-aminocarbonylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-carboxamide dibromide

Systemtic Name: 1-[4-(3-aminocarbonylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-carboxamide dibromide Openeye Name: 1-[4-(3-carbamoylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-carboxamide dibromide CAS Name: 1-[4-(3-carbamoyl-1-pyridin-1-iumyl)butyl]-3-pyridin-1-iumcarboxamide dibromide IUPAC Name: 1-[4-(3-carbamoylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-carboxamide dibromide Traditional Name: 1-[4-(3-carbamoylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-carboxamide dibromide Formula: C16H20Br2N4O2 MolecularWeight: 460.1636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2.2BrH/c17-15(21)13-5-3-9-19(11-13)7-1-2-8-20-10-4-6-14(12-20)16(18)22;;/h3-6,9-12H,1-2,7-8H2,(H2-2,17,18,21,22);2*1H