1-azabicyclo[2.2.2]octane-4-carbonitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 1-azabicyclo[2.2.2]octane-4-carbonitrile; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonic acid; quinuclidine-4-carbonitrile CAS Name: 1-azabicyclo[2.2.2]octane-4-carbonitrile; 4-methylbenzenesulfonic acid IUPAC Name: 1-azabicyclo[2.2.2]octane-4-carbonitrile; 4-methylbenzenesulfonic acid Traditional Name: quinuclidine-4-carbonitrile; tosylic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2.C7H8O3S/c9-7-8-1-4-10(5-2-8)6-3-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-6H2;2-5H,1H3,(H,8,9,10)