1-(3-bromanylpropyl)-2-methyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-(3-bromanylpropyl)-2-methyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-(3-bromopropyl)-2-methyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-(3-bromopropyl)-2-methylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-(3-bromopropyl)-2-methylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-(3-bromopropyl)-2-methyl-pyridin-1-ium tosylate Formula: C16H20BrNO3S MolecularWeight: 386.3039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13BrN.C7H8O3S/c1-9-5-2-3-7-11(9)8-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,5,7H,4,6,8H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1