7-fluoranyl-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate

Systemtic Name: 7-fluoranyl-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate Openeye Name: 7-fluoro-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate CAS Name: 7-fluoro-2-(1-methyl-4-pyridin-1-iumyl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate IUPAC Name: 7-fluoro-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate Traditional Name: 7-fluoro-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole tosylate Formula: C24H21FN2O4S MolecularWeight: 452.497943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=NC3=C(O2)C4=C(CC3)C=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=NC3=C(O2)C4=C(CC3)C=C(C=C4)F

InChI

InChI=1S/C17H14FN2O.C7H8O3S/c1-20-8-6-11(7-9-20)17-19-15-5-2-12-10-13(18)3-4-14(12)16(15)21-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,6-10H,2,5H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1