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

Systemtic Name: 3-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 3-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 3-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 3-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 3-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Formula: C22H22NO2+ MolecularWeight: 332.41558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C[NH+]1CC3=CC(=CC=C3)O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2C[NH+]1CC3=CC(=CC=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO2/c24-20-11-6-7-17(13-20)14-23-15-19-10-4-5-12-21(19)25-22(16-23)18-8-2-1-3-9-18/h1-13,22,24H,14-16H2/p+1/t22-/m1/s1