1-azoniabicyclo[2.2.2]octan-3-yl 4-methoxybenzoate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl 4-methoxybenzoate chloride Openeye Name: quinuclidin-1-ium-3-yl 4-methoxybenzoate chloride CAS Name: 4-methoxybenzoic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl 4-methoxybenzoate chloride Traditional Name: 4-methoxybenzoic acid quinuclidin-1-ium-3-yl ester chloride Formula: C15H20ClNO3 MolecularWeight: 297.7772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2C[NH+]3CCC2CC3.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2C[NH+]3CCC2CC3.[Cl-]

InChI

InChI=1S/C15H19NO3.ClH/c1-18-13-4-2-12(3-5-13)15(17)19-14-10-16-8-6-11(14)7-9-16;/h2-5,11,14H,6-10H2,1H3;1H