3-azoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate

Systemtic Name: 3-azoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate Openeye Name: 3-azoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate CAS Name: 3-azoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate IUPAC Name: 3-azoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate Traditional Name: 3-azoniabicyclo[2.2.2]octane tosylate Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC2CCC1C[NH2+]2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC2CCC1C[NH2+]2

InChI

InChI=1S/C7H13N.C7H8O3S/c1-3-7-4-2-6(1)5-8-7;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H,1-5H2;2-5H,1H3,(H,8,9,10)