tert-butyl 2-(3-azanyl-1-oxidanidyl-2,3,4,5-tetrahydro-1-benzazepin-1-ium-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(3-azanyl-1-oxidanidyl-2,3,4,5-tetrahydro-1-benzazepin-1-ium-1-yl)ethanoate Openeye Name: tert-butyl 2-(3-amino-1-oxido-2,3,4,5-tetrahydro-1-benzazepin-1-ium-1-yl)acetate CAS Name: 2-(3-amino-1-oxido-2,3,4,5-tetrahydro-1-benzazepin-1-ium-1-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-amino-1-oxido-2,3,4,5-tetrahydro-1-benzazepin-1-ium-1-yl)acetate Traditional Name: 2-(3-amino-1-oxido-2,3,4,5-tetrahydro-1-benzazepin-1-ium-1-yl)acetic acid tert-butyl ester Formula: C16H24N2O3 MolecularWeight: 292.37336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[N+]1(CC(CCC2=CC=CC=C21)N)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C[N+]1(CC(CCC2=CC=CC=C21)N)[O-]

InChI

InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)11-18(20)10-13(17)9-8-12-6-4-5-7-14(12)18/h4-7,13H,8-11,17H2,1-3H3