2-(3-bromanyl-1-tert-butyl-8-ethyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(3-bromanyl-1-tert-butyl-8-ethyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(3-bromo-1-tert-butyl-8-ethyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid CAS Name: 2-(3-bromo-1-tert-butyl-8-ethyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid IUPAC Name: 2-(3-bromo-1-tert-butyl-8-ethyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid Traditional Name: 2-(3-bromo-1-tert-butyl-8-ethyl-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid Formula: C24H29BrNO3+ MolecularWeight: 459.39596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(CC(C(=O)[N+]2(CC(=O)O)C(C)(C)C)Br)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(CC(C(=O)[N+]2(CC(=O)O)C(C)(C)C)Br)C3=CC=CC=C3

InChI

InChI=1S/C24H28BrNO3/c1-5-16-11-12-18-19(17-9-7-6-8-10-17)14-20(25)23(29)26(15-22(27)28,21(18)13-16)24(2,3)4/h6-13,19-20H,5,14-15H2,1-4H3/p+1