6-fluoranyl-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-yl-quinolin-1-ium

Systemtic Name: 6-fluoranyl-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-yl-quinolin-1-ium Openeye Name: 6-fluoro-3-(p-tolylsulfonyl)-4-pyrrolidin-1-yl-quinolin-1-ium CAS Name: 6-fluoro-3-(4-methylphenyl)sulfonyl-4-(1-pyrrolidinyl)quinolin-1-ium IUPAC Name: 6-fluoro-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-ylquinolin-1-ium Traditional Name: 6-fluoro-4-pyrrolidino-3-tosyl-quinolin-1-ium Formula: C20H20FN2O2S+ MolecularWeight: 371.448403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCC4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCC4)F

InChI

InChI=1S/C20H19FN2O2S/c1-14-4-7-16(8-5-14)26(24,25)19-13-22-18-9-6-15(21)12-17(18)20(19)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3/p+1