2-(3-azido-1-tert-butyl-5-cyclohexyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(3-azido-1-tert-butyl-5-cyclohexyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(3-azido-1-tert-butyl-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid CAS Name: 2-(3-azido-1-tert-butyl-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid IUPAC Name: 2-(3-azido-1-tert-butyl-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid Traditional Name: 2-(3-azido-1-tert-butyl-5-cyclohexyl-2-keto-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(C2=CC=CC=C2C(CC(C1=O)N=[N+]=[N-])C3CCCCC3)CC(=O)O

Isomeric SMILES

CC(C)(C)[N+]1(C2=CC=CC=C2C(CC(C1=O)N=[N+]=[N-])C3CCCCC3)CC(=O)O

InChI

InChI=1S/C22H30N4O3/c1-22(2,3)26(14-20(27)28)19-12-8-7-11-16(19)17(15-9-5-4-6-10-15)13-18(21(26)29)24-25-23/h7-8,11-12,15,17-18H,4-6,9-10,13-14H2,1-3H3/p+1