1,4-diazabicyclo[3.2.2]nonane; 4-methylbenzenesulfonic acid

Systemtic Name: 1,4-diazabicyclo[3.2.2]nonane; 4-methylbenzenesulfonic acid Openeye Name: 1,4-diazabicyclo[3.2.2]nonane; 4-methylbenzenesulfonic acid CAS Name: 1,4-diazabicyclo[3.2.2]nonane; 4-methylbenzenesulfonic acid IUPAC Name: 1,4-diazabicyclo[3.2.2]nonane; 4-methylbenzenesulfonic acid Traditional Name: 1,4-diazabicyclo[3.2.2]nonane; tosylic acid Formula: C21H30N2O6S2 MolecularWeight: 470.6027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1NCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1NCC2

InChI

InChI=1S/C7H14N2.2C7H8O3S/c1-4-9-5-2-7(1)8-3-6-9;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,1-6H2;2*2-5H,1H3,(H,8,9,10)