3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-thiomorpholin-4-yl-propan-1-one

Systemtic Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-thiomorpholin-4-yl-propan-1-one Openeye Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-thiomorpholino-propan-1-one CAS Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-thiomorpholin-4-yl-1-propanone IUPAC Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-thiomorpholin-4-ylpropan-1-one Traditional Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-thiomorpholino-propan-1-one Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)CC[NH+]2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

C1CSCCN1C(=O)CC[NH+]2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O2S/c25-22(24-12-14-27-15-13-24)10-11-23-16-19-8-4-5-9-20(19)26-21(17-23)18-6-2-1-3-7-18/h1-9,21H,10-17H2/p+1/t21-/m1/s1