2-(3-azido-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-azido-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-azido-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-azido-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-azido-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-azido-1-tert-butyl-2-keto-9-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3/c1-15-9-8-12-17-18(16-10-6-5-7-11-16)13-19(25-26-24)22(30)27(21(15)17,14-20(28)29)23(2,3)4/h5-12,18-19H,13-14H2,1-4H3/p+1