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

Systemtic Name: 5-[2-(2-chloroethyl)phenyl]-8-phenylmethoxy-2,3-dihydro-1,4-benzoxazepin-4-ium chloride Openeye Name: 8-benzyloxy-5-[2-(2-chloroethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-4-ium chloride CAS Name: 5-[2-(2-chloroethyl)phenyl]-8-phenylmethoxy-2,3-dihydro-1,4-benzoxazepin-4-ium chloride IUPAC Name: 5-[2-(2-chloroethyl)phenyl]-8-phenylmethoxy-2,3-dihydro-1,4-benzoxazepin-4-ium chloride Traditional Name: 8-benzoxy-5-[2-(2-chloroethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-4-ium chloride Formula: C24H23Cl2NO2 MolecularWeight: 428.35092

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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=C4CCCl.[Cl-]

Isomeric SMILES

C1COC2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=[NH+]1)C4=CC=CC=C4CCCl.[Cl-]

InChI

InChI=1S/C24H22ClNO2.ClH/c25-13-12-19-8-4-5-9-21(19)24-22-11-10-20(16-23(22)27-15-14-26-24)28-17-18-6-2-1-3-7-18;/h1-11,16H,12-15,17H2;1H