5-(azepan-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol chloride

Systemtic Name: 5-(azepan-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol chloride Openeye Name: 5-(azepan-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol chloride CAS Name: 5-(1-azepan-1-iumyl)-1,1-diphenyl-3-pentyn-1-ol chloride IUPAC Name: 5-(azepan-1-ium-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride Traditional Name: 5-(azepan-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol chloride Formula: C23H28ClNO MolecularWeight: 369.92752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO.ClH/c25-23(21-13-5-3-6-14-21,22-15-7-4-8-16-22)17-9-12-20-24-18-10-1-2-11-19-24;/h3-8,13-16,25H,1-2,10-11,17-20H2;1H