N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]acetamide Formula: C20H16BrFN3O3+ MolecularWeight: 445.261743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC(=O)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC(=O)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C20H15BrFN3O3/c21-16-3-6-19(18(22)12-16)23-20(26)13-24-9-7-15(8-10-24)11-14-1-4-17(5-2-14)25(27)28/h1-10,12H,11,13H2/p+1