4-piperidin-1-ium-1-ylbut-2-ynyl 2-oxidanyl-2,2-diphenyl-ethanoate chloride

Systemtic Name: 4-piperidin-1-ium-1-ylbut-2-ynyl 2-oxidanyl-2,2-diphenyl-ethanoate chloride Openeye Name: 4-piperidin-1-ium-1-ylbut-2-ynyl 2-hydroxy-2,2-diphenyl-acetate chloride CAS Name: 2-hydroxy-2,2-diphenylacetic acid 4-(1-piperidin-1-iumyl)but-2-ynyl ester chloride IUPAC Name: 4-piperidin-1-ium-1-ylbut-2-ynyl 2-hydroxy-2,2-diphenylacetate chloride Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 4-piperidin-1-ium-1-ylbut-2-ynyl ester chloride Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC#CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC#CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C23H25NO3.ClH/c25-22(27-19-11-10-18-24-16-8-3-9-17-24)23(26,20-12-4-1-5-13-20)21-14-6-2-7-15-21;/h1-2,4-7,12-15,26H,3,8-9,16-19H2;1H