2-(3-bromanyl-1-tert-butyl-9-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-9-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-9-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-9-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-9-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-9-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid Formula: C23H27BrNO3+ MolecularWeight: 445.36938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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