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

Systemtic Name: 1-cyclohexyl-1-phenyl-4-[1-(phenylmethyl)piperidin-1-ium-1-yl]but-2-yn-1-ol chloride Openeye Name: 4-(1-benzylpiperidin-1-ium-1-yl)-1-cyclohexyl-1-phenyl-but-2-yn-1-ol chloride CAS Name: 1-cyclohexyl-1-phenyl-4-[1-(phenylmethyl)-1-piperidin-1-iumyl]-2-butyn-1-ol chloride IUPAC Name: 4-(1-benzylpiperidin-1-ium-1-yl)-1-cyclohexyl-1-phenylbut-2-yn-1-ol chloride Traditional Name: 4-(1-benzylpiperidin-1-ium-1-yl)-1-cyclohexyl-1-phenyl-but-2-yn-1-ol chloride Formula: C28H36ClNO MolecularWeight: 438.04454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#CC[N+]2(CCCCC2)CC3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1CCC(CC1)C(C#CC[N+]2(CCCCC2)CC3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C28H36NO.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;/h1-2,5-8,14-17,27,30H,3-4,9-12,18-19,21-24H2;1H/q+1;/p-1