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

Systemtic Name: 1-[3-(3-aminocarbonylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-3-carboxamide dibromide hydrate Openeye Name: 1-[3-(3-carbamoylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-3-carboxamide dibromide hydrate CAS Name: 1-[3-(3-carbamoyl-1-pyridin-1-iumyl)propyl]-3-pyridin-1-iumcarboxamide dibromide hydrate IUPAC Name: 1-[3-(3-carbamoylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-3-carboxamide dibromide hydrate Traditional Name: 1-[3-(3-carbamoylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-3-carboxamide dibromide hydrate Formula: C15H20Br2N4O3 MolecularWeight: 464.1523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2.2BrH.H2O/c16-14(20)12-4-1-6-18(10-12)8-3-9-19-7-2-5-13(11-19)15(17)21;;;/h1-2,4-7,10-11H,3,8-9H2,(H2-2,16,17,20,21);2*1H;1H2