(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-methylquinuclidin-1-ium-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methylquinuclidin-1-ium-3-yl) ester Formula: C15H22NO3S+ MolecularWeight: 296.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C[N+]3(CCC2CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C[N+]3(CCC2CC3)C

InChI

InChI=1S/C15H22NO3S/c1-12-3-5-14(6-4-12)20(17,18)19-15-11-16(2)9-7-13(15)8-10-16/h3-6,13,15H,7-11H2,1-2H3/q+1