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

Systemtic Name: 2-[3-azido-1-tert-butyl-5-(cyclohexylmethyl)-8-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-azido-1-tert-butyl-5-(cyclohexylmethyl)-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid CAS Name: 2-[3-azido-1-tert-butyl-5-(cyclohexylmethyl)-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid IUPAC Name: 2-[3-azido-1-tert-butyl-5-(cyclohexylmethyl)-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-azido-1-tert-butyl-5-(cyclohexylmethyl)-2-keto-8-methyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Formula: C24H35N4O3+ MolecularWeight: 427.5597

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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)N=[N+]=[N-])CC3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(CC(C(=O)[N+]2(CC(=O)O)C(C)(C)C)N=[N+]=[N-])CC3CCCCC3

InChI

InChI=1S/C24H34N4O3/c1-16-10-11-19-18(13-17-8-6-5-7-9-17)14-20(26-27-25)23(31)28(15-22(29)30,21(19)12-16)24(2,3)4/h10-12,17-18,20H,5-9,13-15H2,1-4H3/p+1