2-[3-azido-1-tert-butyl-8-methyl-5-(4-methylphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-azido-1-tert-butyl-8-methyl-5-(4-methylphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-azido-1-tert-butyl-8-methyl-2-oxo-5-(p-tolyl)-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid CAS Name: 2-[3-azido-1-tert-butyl-8-methyl-5-(4-methylphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid IUPAC Name: 2-[3-azido-1-tert-butyl-8-methyl-5-(4-methylphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-azido-1-tert-butyl-2-keto-8-methyl-5-(p-tolyl)-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(C(=O)[N+](C3=C2C=CC(=C3)C)(CC(=O)O)C(C)(C)C)N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(C(=O)[N+](C3=C2C=CC(=C3)C)(CC(=O)O)C(C)(C)C)N=[N+]=[N-]

InChI

InChI=1S/C24H28N4O3/c1-15-6-9-17(10-7-15)19-13-20(26-27-25)23(31)28(14-22(29)30,24(3,4)5)21-12-16(2)8-11-18(19)21/h6-12,19-20H,13-14H2,1-5H3/p+1