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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC1)C(C#CC[N+]2(CCCCC2)CC3=CC=CC=C3Cl)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

CC1(CCCC1)C(C#CC[N+]2(CCCCC2)CC3=CC=CC=C3Cl)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C28H35ClNO.ClH/c1-27(17-8-9-18-27)28(31,25-14-4-2-5-15-25)19-12-22-30(20-10-3-11-21-30)23-24-13-6-7-16-26(24)29;/h2,4-7,13-16,31H,3,8-11,17-18,20-23H2,1H3;1H/q+1;/p-1