1-(butylsulfonylmethyl)-1-methyl-piperidin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-(butylsulfonylmethyl)-1-methyl-piperidin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-(butylsulfonylmethyl)-1-methyl-piperidin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-(butylsulfonylmethyl)-1-methylpiperidin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-(butylsulfonylmethyl)-1-methylpiperidin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-(butylsulfonylmethyl)-1-methyl-piperidin-1-ium tosylate Formula: C18H31NO5S2 MolecularWeight: 405.57244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C[N+]1(CCCCC1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)C[N+]1(CCCCC1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H24NO2S.C7H8O3S/c1-3-4-10-15(13,14)11-12(2)8-6-5-7-9-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1