1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxamide bromide Openeye Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[(4-nitrophenyl)methyl]-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: 1-(4-nitrobenzyl)pyridin-1-ium-4-carboxamide bromide Formula: C13H12BrN3O3 MolecularWeight: 338.15668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C(=O)N)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C(=O)N)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C13H11N3O3.BrH/c14-13(17)11-5-7-15(8-6-11)9-10-1-3-12(4-2-10)16(18)19;/h1-8H,9H2,(H-,14,17);1H