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

Systemtic Name: 4-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-1-yl]-1,1-diphenyl-but-2-yn-1-ol chloride Openeye Name: 4-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-1-yl]-1,1-diphenyl-but-2-yn-1-ol chloride CAS Name: 4-[1-[(2-chlorophenyl)methyl]-1-piperidin-1-iumyl]-1,1-diphenyl-2-butyn-1-ol chloride IUPAC Name: 4-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-1-yl]-1,1-diphenylbut-2-yn-1-ol chloride Traditional Name: 4-[1-(2-chlorobenzyl)piperidin-1-ium-1-yl]-1,1-diphenyl-but-2-yn-1-ol chloride Formula: C28H29Cl2NO MolecularWeight: 466.44196

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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=C4Cl.[Cl-]

Isomeric SMILES

C1CC[N+](CC1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CC=C4Cl.[Cl-]

InChI

InChI=1S/C28H29ClNO.ClH/c29-27-18-9-8-13-24(27)23-30(20-10-3-11-21-30)22-12-19-28(31,25-14-4-1-5-15-25)26-16-6-2-7-17-26;/h1-2,4-9,13-18,31H,3,10-11,20-23H2;1H/q+1;/p-1