4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate

Systemtic Name: 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate Openeye Name: 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate CAS Name: 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate IUPAC Name: 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate Traditional Name: 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane tosylate Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]12CCN(CC1)CC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]12CCN(CC1)CC2

InChI

InChI=1S/C7H15N2.C7H8O3S/c1-9-5-2-8(3-6-9)4-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-7H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1