8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol; 4-methylbenzenesulfonate

Systemtic Name: 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol; 4-methylbenzenesulfonate Openeye Name: 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol; 4-methylbenzenesulfonate CAS Name: 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol; 4-methylbenzenesulfonate IUPAC Name: 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol; 4-methylbenzenesulfonate Traditional Name: 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol tosylate Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C2CCC1CC(C2)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C2CCC1CC(C2)O)C

InChI

InChI=1S/C9H18NO.C7H8O3S/c1-10(2)7-3-4-8(10)6-9(11)5-7;1-6-2-4-7(5-3-6)11(8,9)10/h7-9,11H,3-6H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1