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

Systemtic Name: 4-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-1-yl]-1-cyclohexyl-1-phenyl-but-2-yn-1-ol chloride Openeye Name: 4-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-1-yl]-1-cyclohexyl-1-phenyl-but-2-yn-1-ol chloride CAS Name: 4-[1-[(2-chlorophenyl)methyl]-1-piperidin-1-iumyl]-1-cyclohexyl-1-phenyl-2-butyn-1-ol chloride IUPAC Name: 4-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-1-yl]-1-cyclohexyl-1-phenylbut-2-yn-1-ol chloride Traditional Name: 4-[1-(2-chlorobenzyl)piperidin-1-ium-1-yl]-1-cyclohexyl-1-phenyl-but-2-yn-1-ol chloride Formula: C28H35Cl2NO MolecularWeight: 472.4896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#CC[N+]2(CCCCC2)CC3=CC=CC=C3Cl)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1CCC(CC1)C(C#CC[N+]2(CCCCC2)CC3=CC=CC=C3Cl)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C28H35ClNO.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;/h1,4-5,8-9,13-15,18,26,31H,2-3,6-7,10-11,16-17,20-23H2;1H/q+1;/p-1