1-azoniabicyclo[2.2.2]octan-3-yl 2-(4-methylphenoxy)ethanoate

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-(4-methylphenoxy)ethanoate Openeye Name: quinuclidin-1-ium-3-yl 2-(4-methylphenoxy)acetate CAS Name: 2-(4-methylphenoxy)acetic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-(4-methylphenoxy)acetate Traditional Name: 2-(4-methylphenoxy)acetic acid quinuclidin-1-ium-3-yl ester Formula: C16H22NO3+ MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)OC2C[NH+]3CCC2CC3

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)OC2C[NH+]3CCC2CC3

InChI

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