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

Systemtic Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-thenyl)acetamide Formula: C22H23N2O2S+ MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C[NH+]1CC(=O)NCC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2C[NH+]1CC(=O)NCC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2S/c25-22(23-13-19-10-6-12-27-19)16-24-14-18-9-4-5-11-20(18)26-21(15-24)17-7-2-1-3-8-17/h1-12,21H,13-16H2,(H,23,25)/p+1/t21-/m1/s1