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

Systemtic Name: (4-fluorophenyl)-piperidin-1-yl-methanone; 4-methylbenzenesulfonate Openeye Name: (4-fluorophenyl)-(1-piperidyl)methanone; 4-methylbenzenesulfonate CAS Name: (4-fluorophenyl)-(1-piperidinyl)methanone; 4-methylbenzenesulfonate IUPAC Name: (4-fluorophenyl)-piperidin-1-ylmethanone; 4-methylbenzenesulfonate Traditional Name: (4-fluorophenyl)-piperidino-methanone tosylate Formula: C19H21FNO4S- MolecularWeight: 378.437743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCN(CC1)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCN(CC1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H14FNO.C7H8O3S/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3,8-9H2;2-5H,1H3,(H,8,9,10)/p-1