2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)ethanoate

Systemtic Name: 2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)ethanoate Openeye Name: 2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetate CAS Name: 2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetate IUPAC Name: 2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetate Traditional Name: 2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetate Formula: C11H13NO3 MolecularWeight: 207.22582

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C[NH+]1CC(=O)[O-]

Isomeric SMILES

C1COC2=CC=CC=C2C[NH+]1CC(=O)[O-]

InChI

InChI=1S/C11H13NO3/c13-11(14)8-12-5-6-15-10-4-2-1-3-9(10)7-12/h1-4H,5-8H2,(H,13,14)