1-(1-methylcyclopentyl)-1-phenyl-4-piperidin-1-ium-1-yl-but-2-yn-1-ol chloride

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

CC1(CCCC1)C(C#CC[NH+]2CCCCC2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CC1(CCCC1)C(C#CC[NH+]2CCCCC2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C21H29NO.ClH/c1-20(13-6-7-14-20)21(23,19-11-4-2-5-12-19)15-10-18-22-16-8-3-9-17-22;/h2,4-5,11-12,23H,3,6-9,13-14,16-18H2,1H3;1H