2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-ethanol chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-ethanol chloride Openeye Name: 2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-ethanol chloride CAS Name: 2-(1-azepan-1-iumyl)-1-(4-chlorophenyl)-2-phenylethanol chloride IUPAC Name: 2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenylethanol chloride Traditional Name: 2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-ethanol chloride Formula: C20H25Cl2NO MolecularWeight: 366.3246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)O.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)C(C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)O.[Cl-]

InChI

InChI=1S/C20H24ClNO.ClH/c21-18-12-10-17(11-13-18)20(23)19(16-8-4-3-5-9-16)22-14-6-1-2-7-15-22;/h3-5,8-13,19-20,23H,1-2,6-7,14-15H2;1H