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

Systemtic Name: 2-[3-bromanyl-1-tert-butyl-5-(4-methylphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-bromo-1-tert-butyl-2-oxo-5-(p-tolyl)-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid CAS Name: 2-[3-bromo-1-tert-butyl-5-(4-methylphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid IUPAC Name: 2-[3-bromo-1-tert-butyl-5-(4-methylphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-bromo-1-tert-butyl-2-keto-5-(p-tolyl)-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Formula: C23H27BrNO3+ MolecularWeight: 445.36938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(C(=O)[N+](C3=CC=CC=C23)(CC(=O)O)C(C)(C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(C(=O)[N+](C3=CC=CC=C23)(CC(=O)O)C(C)(C)C)Br

InChI

InChI=1S/C23H26BrNO3/c1-15-9-11-16(12-10-15)18-13-19(24)22(28)25(14-21(26)27,23(2,3)4)20-8-6-5-7-17(18)20/h5-12,18-19H,13-14H2,1-4H3/p+1