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

Systemtic Name: 2-[3-bromanyl-1-tert-butyl-5-(3-chlorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-bromo-1-tert-butyl-5-(3-chlorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid CAS Name: 2-[3-bromo-1-tert-butyl-5-(3-chlorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid IUPAC Name: 2-[3-bromo-1-tert-butyl-5-(3-chlorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-bromo-1-tert-butyl-5-(3-chlorophenyl)-2-keto-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Formula: C22H24BrClNO3+ MolecularWeight: 465.78786

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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=C3)Cl)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrClNO3/c1-22(2,3)25(13-20(26)27)19-10-5-4-9-16(19)17(12-18(23)21(25)28)14-7-6-8-15(24)11-14/h4-11,17-18H,12-13H2,1-3H3/p+1