4-(azepan-1-ium-1-yl)-1-(3-fluorophenyl)-1-phenyl-but-2-yn-1-ol chloride

Systemtic Name: 4-(azepan-1-ium-1-yl)-1-(3-fluorophenyl)-1-phenyl-but-2-yn-1-ol chloride Openeye Name: 4-(azepan-1-ium-1-yl)-1-(3-fluorophenyl)-1-phenyl-but-2-yn-1-ol chloride CAS Name: 4-(1-azepan-1-iumyl)-1-(3-fluorophenyl)-1-phenyl-2-butyn-1-ol chloride IUPAC Name: 4-(azepan-1-ium-1-yl)-1-(3-fluorophenyl)-1-phenylbut-2-yn-1-ol chloride Traditional Name: 4-(azepan-1-ium-1-yl)-1-(3-fluorophenyl)-1-phenyl-but-2-yn-1-ol chloride Formula: C22H25ClFNO MolecularWeight: 373.891403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FNO.ClH/c23-21-13-8-12-20(18-21)22(25,19-10-4-3-5-11-19)14-9-17-24-15-6-1-2-7-16-24;/h3-5,8,10-13,18,25H,1-2,6-7,15-17H2;1H