1-cyclohexyl-1-phenyl-4-piperidin-1-ium-1-yl-but-2-yn-1-ol chloride

Systemtic Name: 1-cyclohexyl-1-phenyl-4-piperidin-1-ium-1-yl-but-2-yn-1-ol chloride Openeye Name: 1-cyclohexyl-1-phenyl-4-piperidin-1-ium-1-yl-but-2-yn-1-ol chloride CAS Name: 1-cyclohexyl-1-phenyl-4-(1-piperidin-1-iumyl)-2-butyn-1-ol chloride IUPAC Name: 1-cyclohexyl-1-phenyl-4-piperidin-1-ium-1-ylbut-2-yn-1-ol chloride Traditional Name: 1-cyclohexyl-1-phenyl-4-piperidin-1-ium-1-yl-but-2-yn-1-ol chloride Formula: C21H30ClNO MolecularWeight: 347.922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO.ClH/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22;/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2;1H