5-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenyl-pent-3-yn-1-ol chloride

Systemtic Name: 5-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenyl-pent-3-yn-1-ol chloride Openeye Name: 5-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenyl-pent-3-yn-1-ol chloride CAS Name: 5-(1-azepan-1-iumyl)-1-cyclopentyl-1-phenyl-3-pentyn-1-ol chloride IUPAC Name: 5-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenylpent-3-yn-1-ol chloride Traditional Name: 5-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenyl-pent-3-yn-1-ol chloride Formula: C22H32ClNO MolecularWeight: 361.94858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO.ClH/c24-22(21-14-6-7-15-21,20-12-4-3-5-13-20)16-8-11-19-23-17-9-1-2-10-18-23;/h3-5,12-13,21,24H,1-2,6-7,9-10,14-19H2;1H