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

Systemtic Name: 4-(azepan-1-ium-1-yl)-1-cyclopropyl-1-phenyl-but-2-yn-1-ol chloride Openeye Name: 4-(azepan-1-ium-1-yl)-1-cyclopropyl-1-phenyl-but-2-yn-1-ol chloride CAS Name: 4-(1-azepan-1-iumyl)-1-cyclopropyl-1-phenyl-2-butyn-1-ol chloride IUPAC Name: 4-(azepan-1-ium-1-yl)-1-cyclopropyl-1-phenylbut-2-yn-1-ol chloride Traditional Name: 4-(azepan-1-ium-1-yl)-1-cyclopropyl-1-phenyl-but-2-yn-1-ol chloride Formula: C19H26ClNO MolecularWeight: 319.86884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC#CC(C2CC2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CC#CC(C2CC2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C19H25NO.ClH/c21-19(18-11-12-18,17-9-4-3-5-10-17)13-8-16-20-14-6-1-2-7-15-20;/h3-5,9-10,18,21H,1-2,6-7,11-12,14-16H2;1H