(4-fluorophenyl)-piperidin-1-ium-4-yl-methanone; 4-methylbenzenesulfonate

Systemtic Name: (4-fluorophenyl)-piperidin-1-ium-4-yl-methanone; 4-methylbenzenesulfonate Openeye Name: (4-fluorophenyl)-piperidin-1-ium-4-yl-methanone; 4-methylbenzenesulfonate CAS Name: (4-fluorophenyl)-(4-piperidin-1-iumyl)methanone; 4-methylbenzenesulfonate IUPAC Name: (4-fluorophenyl)-piperidin-1-ium-4-ylmethanone; 4-methylbenzenesulfonate Traditional Name: (4-fluorophenyl)-piperidin-1-ium-4-yl-methanone tosylate Formula: C19H22FNO4S MolecularWeight: 379.445683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[NH2+]CCC1C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[NH2+]CCC1C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H14FNO.C7H8O3S/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,10,14H,5-8H2;2-5H,1H3,(H,8,9,10)