1-[2-[1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]azepan-1-ium chloride

Systemtic Name: 1-[2-[1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]azepan-1-ium chloride Openeye Name: 1-[2-[1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]azepan-1-ium chloride CAS Name: 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]azepan-1-ium chloride IUPAC Name: 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]azepan-1-ium chloride Traditional Name: 1-[2-[1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]azepan-1-ium chloride Formula: C22H29Cl2NO MolecularWeight: 394.37776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[NH+]3CCCCCC3.[Cl-]

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[NH+]3CCCCCC3.[Cl-]

InChI

InChI=1S/C22H28ClNO.ClH/c1-22(19-9-5-4-6-10-19,20-11-13-21(23)14-12-20)25-18-17-24-15-7-2-3-8-16-24;/h4-6,9-14H,2-3,7-8,15-18H2,1H3;1H