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

Systemtic Name: 4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenyl-but-2-yn-1-ol chloride Openeye Name: 4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenyl-but-2-yn-1-ol chloride CAS Name: 4-(1-azepan-1-iumyl)-1-cyclopentyl-1-phenyl-2-butyn-1-ol chloride IUPAC Name: 4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol chloride Traditional Name: 4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenyl-but-2-yn-1-ol chloride Formula: C21H30ClNO MolecularWeight: 347.922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC#CC(C2CCCC2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CC#CC(C2CCCC2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C21H29NO.ClH/c23-21(20-13-6-7-14-20,19-11-4-3-5-12-19)15-10-18-22-16-8-1-2-9-17-22;/h3-5,11-12,20,23H,1-2,6-9,13-14,16-18H2;1H