1-[5-(3-aminocarbonylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium-3-carboxamide dibromide

Systemtic Name: 1-[5-(3-aminocarbonylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium-3-carboxamide dibromide Openeye Name: 1-[5-(3-carbamoylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium-3-carboxamide dibromide CAS Name: 1-[5-(3-carbamoyl-1-pyridin-1-iumyl)pentyl]-3-pyridin-1-iumcarboxamide dibromide IUPAC Name: 1-[5-(3-carbamoylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium-3-carboxamide dibromide Traditional Name: 1-[5-(3-carbamoylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium-3-carboxamide dibromide Formula: C17H22Br2N4O2 MolecularWeight: 474.19018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2.2BrH/c18-16(22)14-6-4-10-20(12-14)8-2-1-3-9-21-11-5-7-15(13-21)17(19)23;;/h4-7,10-13H,1-3,8-9H2,(H2-2,18,19,22,23);2*1H