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

Systemtic Name: 2-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanoylamino]ethanamide Openeye Name: 2-[[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetyl]amino]acetamide CAS Name: 2-[[1-oxo-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]amino]acetamide IUPAC Name: 2-[[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetyl]amino]acetamide Traditional Name: 2-[[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetyl]amino]acetamide Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C[NH+]1CC(=O)NCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2C[NH+]1CC(=O)NCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3/c20-18(23)10-21-19(24)13-22-11-15-8-4-5-9-16(15)25-17(12-22)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H2,20,23)(H,21,24)/p+1/t17-/m1/s1