1-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide dibromide hydrate

Systemtic Name: 1-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide dibromide hydrate Openeye Name: 1-[2-(3-carbamoylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide dibromide hydrate CAS Name: 1-[2-(3-carbamoyl-1-pyridin-1-iumyl)ethyl]-3-pyridin-1-iumcarboxamide dibromide hydrate IUPAC Name: 1-[2-(3-carbamoylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide dibromide hydrate Traditional Name: 1-[2-(3-carbamoylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide dibromide hydrate Formula: C14H18Br2N4O3 MolecularWeight: 450.12572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2.2BrH.H2O/c15-13(19)11-3-1-5-17(9-11)7-8-18-6-2-4-12(10-18)14(16)20;;;/h1-6,9-10H,7-8H2,(H2-2,15,16,19,20);2*1H;1H2