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

Systemtic Name: 2-(3-bromanyl-1-tert-butyl-8-methyl-2-oxidanylidene-5-propan-2-yl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(3-bromo-1-tert-butyl-5-isopropyl-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid CAS Name: 2-(3-bromo-1-tert-butyl-8-methyl-2-oxo-5-propan-2-yl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid IUPAC Name: 2-(3-bromo-1-tert-butyl-8-methyl-2-oxo-5-propan-2-yl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid Traditional Name: 2-(3-bromo-1-tert-butyl-5-isopropyl-2-keto-8-methyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid Formula: C20H29BrNO3+ MolecularWeight: 411.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(CC(C(=O)[N+]2(CC(=O)O)C(C)(C)C)Br)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(CC(C(=O)[N+]2(CC(=O)O)C(C)(C)C)Br)C(C)C

InChI

InChI=1S/C20H28BrNO3/c1-12(2)15-10-16(21)19(25)22(11-18(23)24,20(4,5)6)17-9-13(3)7-8-14(15)17/h7-9,12,15-16H,10-11H2,1-6H3/p+1