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

Systemtic Name: 2-[3-bromanyl-1-tert-butyl-5-(4-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-bromo-1-tert-butyl-5-(4-fluorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid CAS Name: 2-[3-bromo-1-tert-butyl-5-(4-fluorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid IUPAC Name: 2-[3-bromo-1-tert-butyl-5-(4-fluorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-bromo-1-tert-butyl-5-(4-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=C(C=C3)F)CC(=O)O

Isomeric SMILES

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

InChI

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