2-(3-bromanyl-1-tert-butyl-7-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(3-bromanyl-1-tert-butyl-7-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(3-bromo-1-tert-butyl-7-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid CAS Name: 2-(3-bromo-1-tert-butyl-7-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid IUPAC Name: 2-(3-bromo-1-tert-butyl-7-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid Traditional Name: 2-(3-bromo-1-tert-butyl-2-keto-7-methyl-5-phenyl-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=CC2=C(C=C1)[N+](C(=O)C(CC2C3=CC=CC=C3)Br)(CC(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C(=O)C(CC2C3=CC=CC=C3)Br)(CC(=O)O)C(C)(C)C

InChI

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