N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide

Systemtic Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide Openeye Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide CAS Name: N-[(2R)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide IUPAC Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Traditional Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)CN1C(=O)CCOC2=CC=CC=C21)[NH+]3CCOCC3

Isomeric SMILES

CCC(CC)[C@H](CNC(=O)CN1C(=O)CCOC2=CC=CC=C21)[NH+]3CCOCC3

InChI

InChI=1S/C22H33N3O4/c1-3-17(4-2)19(24-10-13-28-14-11-24)15-23-21(26)16-25-18-7-5-6-8-20(18)29-12-9-22(25)27/h5-8,17,19H,3-4,9-16H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1