1-azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenyl-butanoate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenyl-butanoate chloride Openeye Name: quinuclidin-1-ium-3-yl 2-(hydroxymethyl)-2-phenyl-butanoate chloride CAS Name: 2-(hydroxymethyl)-2-phenylbutanoic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride Traditional Name: 2-methylol-2-phenyl-butyric acid quinuclidin-1-ium-3-yl ester chloride Formula: C18H26ClNO3 MolecularWeight: 339.85694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(C1=CC=CC=C1)C(=O)OC2C[NH+]3CCC2CC3.[Cl-]

Isomeric SMILES

CCC(CO)(C1=CC=CC=C1)C(=O)OC2C[NH+]3CCC2CC3.[Cl-]

InChI

InChI=1S/C18H25NO3.ClH/c1-2-18(13-20,15-6-4-3-5-7-15)17(21)22-16-12-19-10-8-14(16)9-11-19;/h3-7,14,16,20H,2,8-13H2,1H3;1H