1,1-dimethylpyrrolidin-1-ium-3-ol; 4-methylbenzenesulfonate

Systemtic Name: 1,1-dimethylpyrrolidin-1-ium-3-ol; 4-methylbenzenesulfonate Openeye Name: 1,1-dimethylpyrrolidin-1-ium-3-ol; 4-methylbenzenesulfonate CAS Name: 1,1-dimethyl-3-pyrrolidin-1-iumol; 4-methylbenzenesulfonate IUPAC Name: 1,1-dimethylpyrrolidin-1-ium-3-ol; 4-methylbenzenesulfonate Traditional Name: 1,1-dimethylpyrrolidin-1-ium-3-ol tosylate Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H14NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-7(2)4-3-6(8)5-7/h2-5H,1H3,(H,8,9,10);6,8H,3-5H2,1-2H3/q;+1/p-1