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

Systemtic Name: 2-[3-azido-1-tert-butyl-5-(3,4-dichlorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-azido-1-tert-butyl-5-(3,4-dichlorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid CAS Name: 2-[3-azido-1-tert-butyl-5-(3,4-dichlorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid IUPAC Name: 2-[3-azido-1-tert-butyl-5-(3,4-dichlorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-azido-1-tert-butyl-5-(3,4-dichlorophenyl)-2-keto-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Formula: C22H23Cl2N4O3+ MolecularWeight: 462.34902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(C2=CC=CC=C2C(CC(C1=O)N=[N+]=[N-])C3=CC(=C(C=C3)Cl)Cl)CC(=O)O

Isomeric SMILES

CC(C)(C)[N+]1(C2=CC=CC=C2C(CC(C1=O)N=[N+]=[N-])C3=CC(=C(C=C3)Cl)Cl)CC(=O)O

InChI

InChI=1S/C22H22Cl2N4O3/c1-22(2,3)28(12-20(29)30)19-7-5-4-6-14(19)15(11-18(21(28)31)26-27-25)13-8-9-16(23)17(24)10-13/h4-10,15,18H,11-12H2,1-3H3/p+1