1-azoniabicyclo[2.2.2]octan-3-yl 2-(3-methylphenoxy)ethanoate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-(3-methylphenoxy)ethanoate chloride Openeye Name: quinuclidin-1-ium-3-yl 2-(3-methylphenoxy)acetate chloride CAS Name: 2-(3-methylphenoxy)acetic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-(3-methylphenoxy)acetate chloride Traditional Name: 2-(3-methylphenoxy)acetic acid quinuclidin-1-ium-3-yl ester chloride Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)OC2C[NH+]3CCC2CC3.[Cl-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)OC2C[NH+]3CCC2CC3.[Cl-]

InChI

InChI=1S/C16H21NO3.ClH/c1-12-3-2-4-14(9-12)19-11-16(18)20-15-10-17-7-5-13(15)6-8-17;/h2-4,9,13,15H,5-8,10-11H2,1H3;1H