2-[2-(8-phenylmethoxy-2,3-dihydro-1,4-benzoxazepin-4-ium-5-yl)phenyl]ethanol chloride

Systemtic Name: 2-[2-(8-phenylmethoxy-2,3-dihydro-1,4-benzoxazepin-4-ium-5-yl)phenyl]ethanol chloride Openeye Name: 2-[2-(8-benzyloxy-2,3-dihydro-1,4-benzoxazepin-4-ium-5-yl)phenyl]ethanol chloride CAS Name: 2-[2-(8-phenylmethoxy-2,3-dihydro-1,4-benzoxazepin-4-ium-5-yl)phenyl]ethanol chloride IUPAC Name: 2-[2-(8-phenylmethoxy-2,3-dihydro-1,4-benzoxazepin-4-ium-5-yl)phenyl]ethanol chloride Traditional Name: 2-[2-(8-benzoxy-2,3-dihydro-1,4-benzoxazepin-4-ium-5-yl)phenyl]ethanol chloride Formula: C24H24ClNO3 MolecularWeight: 409.90526

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=[NH+]1)C4=CC=CC=C4CCO.[Cl-]

Isomeric SMILES

C1COC2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=[NH+]1)C4=CC=CC=C4CCO.[Cl-]

InChI

InChI=1S/C24H23NO3.ClH/c26-14-12-19-8-4-5-9-21(19)24-22-11-10-20(16-23(22)27-15-13-25-24)28-17-18-6-2-1-3-7-18;/h1-11,16,26H,12-15,17H2;1H