2-[3-bromanyl-1-tert-butyl-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-bromanyl-1-tert-butyl-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-bromo-1-tert-butyl-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid CAS Name: 2-[3-bromo-1-tert-butyl-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid IUPAC Name: 2-[3-bromo-1-tert-butyl-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-bromo-1-tert-butyl-5-(2-fluorophenyl)-2-keto-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Formula: C22H24BrFNO3+ MolecularWeight: 449.333263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(C2=CC=CC=C2C(CC(C1=O)Br)C3=CC=CC=C3F)CC(=O)O

Isomeric SMILES

CC(C)(C)[N+]1(C2=CC=CC=C2C(CC(C1=O)Br)C3=CC=CC=C3F)CC(=O)O

InChI

InChI=1S/C22H23BrFNO3/c1-22(2,3)25(13-20(26)27)19-11-7-5-9-15(19)16(12-17(23)21(25)28)14-8-4-6-10-18(14)24/h4-11,16-17H,12-13H2,1-3H3/p+1