1-azabicyclo[2.2.2]octan-3-ol; 4-methylbenzenesulfonic acid; hydrochloride

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-ol; 4-methylbenzenesulfonic acid; hydrochloride Openeye Name: 4-methylbenzenesulfonic acid; quinuclidin-3-ol; hydrochloride CAS Name: 1-azabicyclo[2.2.2]octan-3-ol; 4-methylbenzenesulfonic acid; hydrochloride IUPAC Name: 1-azabicyclo[2.2.2]octan-3-ol; 4-methylbenzenesulfonic acid; hydrochloride Traditional Name: quinuclidin-3-ol; tosylic acid; hydrochloride Formula: C14H22ClNO4S MolecularWeight: 335.84678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)O.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)O.Cl

InChI

InChI=1S/C7H13NO.C7H8O3S.ClH/c9-7-5-8-3-1-6(7)2-4-8;1-6-2-4-7(5-3-6)11(8,9)10;/h6-7,9H,1-5H2;2-5H,1H3,(H,8,9,10);1H