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

Systemtic Name: 2-[3-bromanyl-1-tert-butyl-5-(3,4-dichlorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-bromo-1-tert-butyl-5-(3,4-dichlorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid CAS Name: 2-[3-bromo-1-tert-butyl-5-(3,4-dichlorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid IUPAC Name: 2-[3-bromo-1-tert-butyl-5-(3,4-dichlorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-bromo-1-tert-butyl-5-(3,4-dichlorophenyl)-2-keto-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Formula: C22H23BrCl2NO3+ MolecularWeight: 500.23292

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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)Cl)Cl)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrCl2NO3/c1-22(2,3)26(12-20(27)28)19-7-5-4-6-14(19)15(11-16(23)21(26)29)13-8-9-17(24)18(25)10-13/h4-10,15-16H,11-12H2,1-3H3/p+1