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

Systemtic Name: 4-(azepan-1-ium-1-yl)-1-(1-ethylcyclopentyl)-1-phenyl-but-2-yn-1-ol chloride Openeye Name: 4-(azepan-1-ium-1-yl)-1-(1-ethylcyclopentyl)-1-phenyl-but-2-yn-1-ol chloride CAS Name: 4-(1-azepan-1-iumyl)-1-(1-ethylcyclopentyl)-1-phenyl-2-butyn-1-ol chloride IUPAC Name: 4-(azepan-1-ium-1-yl)-1-(1-ethylcyclopentyl)-1-phenylbut-2-yn-1-ol chloride Traditional Name: 4-(azepan-1-ium-1-yl)-1-(1-ethylcyclopentyl)-1-phenyl-but-2-yn-1-ol chloride Formula: C23H34ClNO MolecularWeight: 375.97516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC1)C(C#CC[NH+]2CCCCCC2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCC1(CCCC1)C(C#CC[NH+]2CCCCCC2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C23H33NO.ClH/c1-2-22(15-8-9-16-22)23(25,21-13-6-5-7-14-21)17-12-20-24-18-10-3-4-11-19-24;/h5-7,13-14,25H,2-4,8-11,15-16,18-20H2,1H3;1H