4-(4-fluorophenyl)-1-(phenylmethyl)-1,2,3,6-tetrahydropyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-(4-fluorophenyl)-1-(phenylmethyl)-1,2,3,6-tetrahydropyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-benzyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-(4-fluorophenyl)-1-(phenylmethyl)-1,2,3,6-tetrahydropyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-benzyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-benzyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium tosylate Formula: C25H26FNO3S MolecularWeight: 439.542243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[NH+](CC=C1C2=CC=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[NH+](CC=C1C2=CC=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C18H18FN.C7H8O3S/c19-18-8-6-16(7-9-18)17-10-12-20(13-11-17)14-15-4-2-1-3-5-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11-14H2;2-5H,1H3,(H,8,9,10)