(1-methylpiperidin-1-ium-4-yl) 4-bromanyl-2,5-dimethoxy-benzenesulfonate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 4-bromanyl-2,5-dimethoxy-benzenesulfonate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 4-bromo-2,5-dimethoxy-benzenesulfonate CAS Name: 4-bromo-2,5-dimethoxybenzenesulfonic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 4-bromo-2,5-dimethoxybenzenesulfonate Traditional Name: 4-bromo-2,5-dimethoxy-benzenesulfonic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C14H21BrNO5S+ MolecularWeight: 395.28924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OS(=O)(=O)C2=C(C=C(C(=C2)OC)Br)OC

Isomeric SMILES

C[NH+]1CCC(CC1)OS(=O)(=O)C2=C(C=C(C(=C2)OC)Br)OC

InChI

InChI=1S/C14H20BrNO5S/c1-16-6-4-10(5-7-16)21-22(17,18)14-9-12(19-2)11(15)8-13(14)20-3/h8-10H,4-7H2,1-3H3/p+1