1,1-diphenyl-4-[1-(phenylmethyl)piperidin-1-ium-1-yl]but-2-yn-1-ol chloride

Systemtic Name: 1,1-diphenyl-4-[1-(phenylmethyl)piperidin-1-ium-1-yl]but-2-yn-1-ol chloride Openeye Name: 4-(1-benzylpiperidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol chloride CAS Name: 1,1-diphenyl-4-[1-(phenylmethyl)-1-piperidin-1-iumyl]-2-butyn-1-ol chloride IUPAC Name: 4-(1-benzylpiperidin-1-ium-1-yl)-1,1-diphenylbut-2-yn-1-ol chloride Traditional Name: 4-(1-benzylpiperidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol chloride Formula: C28H30ClNO MolecularWeight: 431.9969

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC[N+](CC1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C28H30NO.ClH/c30-28(26-16-7-2-8-17-26,27-18-9-3-10-19-27)20-13-23-29(21-11-4-12-22-29)24-25-14-5-1-6-15-25;/h1-3,5-10,14-19,30H,4,11-12,21-24H2;1H/q+1;/p-1