1-azabicyclo[2.2.2]octan-4-ol; 4-methylbenzenesulfonic acid

Systemtic Name: 1-azabicyclo[2.2.2]octan-4-ol; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonic acid; quinuclidin-4-ol CAS Name: 1-azabicyclo[2.2.2]octan-4-ol; 4-methylbenzenesulfonic acid IUPAC Name: 1-azabicyclo[2.2.2]octan-4-ol; 4-methylbenzenesulfonic acid Traditional Name: quinuclidin-4-ol; tosylic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1(CC2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1(CC2)O

InChI

InChI=1S/C7H13NO.C7H8O3S/c9-7-1-4-8(5-2-7)6-3-7;1-6-2-4-7(5-3-6)11(8,9)10/h9H,1-6H2;2-5H,1H3,(H,8,9,10)