6-(5-tert-butylperoxy-6-oxidanidyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)hexanoic acid

Systemtic Name: 6-(5-tert-butylperoxy-6-oxidanidyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)hexanoic acid Openeye Name: 6-(5-tert-butylperoxy-6-oxido-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)hexanoic acid CAS Name: 6-(5-tert-butyldioxy-6-oxido-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)hexanoic acid IUPAC Name: 6-(5-tert-butylperoxy-6-oxido-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)hexanoic acid Traditional Name: 6-(5-tert-butylperoxy-6-oxido-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)hexanoic acid Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OOC1C2=CC=CC=C2C3=CC=CC=C3C[N+]1(CCCCCC(=O)O)[O-]

Isomeric SMILES

CC(C)(C)OOC1C2=CC=CC=C2C3=CC=CC=C3C[N+]1(CCCCCC(=O)O)[O-]

InChI

InChI=1S/C24H31NO5/c1-24(2,3)30-29-23-21-14-9-8-13-20(21)19-12-7-6-11-18(19)17-25(23,28)16-10-4-5-15-22(26)27/h6-9,11-14,23H,4-5,10,15-17H2,1-3H3,(H,26,27)