1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; 4-methylbenzenesulfonate

Systemtic Name: 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; 4-methylbenzenesulfonate Openeye Name: 4-methylbenzenesulfonate; 1-methylquinuclidin-1-ium-3-ol CAS Name: 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; 4-methylbenzenesulfonate IUPAC Name: 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; 4-methylbenzenesulfonate Traditional Name: 1-methylquinuclidin-1-ium-3-ol tosylate Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]12CCC(CC1)C(C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]12CCC(CC1)C(C2)O

InChI

InChI=1S/C8H16NO.C7H8O3S/c1-9-4-2-7(3-5-9)8(10)6-9;1-6-2-4-7(5-3-6)11(8,9)10/h7-8,10H,2-6H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1