N-[(3S)-2-oxidanylideneoxolan-3-yl]-2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)ethanamide

Systemtic Name: N-[(3S)-2-oxidanylideneoxolan-3-yl]-2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)ethanamide Openeye Name: N-[(3S)-2-oxotetrahydrofuran-3-yl]-2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetamide CAS Name: N-[(3S)-2-oxo-3-oxolanyl]-2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetamide IUPAC Name: N-[(3S)-2-oxooxolan-3-yl]-2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetamide Traditional Name: N-[(3S)-2-ketotetrahydrofuran-3-yl]-2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetamide Formula: C15H19N2O4+ MolecularWeight: 291.32236

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1NC(=O)C[NH+]2CCOC3=CC=CC=C3C2

Isomeric SMILES

C1COC(=O)[C@H]1NC(=O)C[NH+]2CCOC3=CC=CC=C3C2

InChI

InChI=1S/C15H18N2O4/c18-14(16-12-5-7-21-15(12)19)10-17-6-8-20-13-4-2-1-3-11(13)9-17/h1-4,12H,5-10H2,(H,16,18)/p+1/t12-/m0/s1