6-fluoranyl-3-(4-methylphenyl)sulfonyl-4-[(3R)-3-methylpiperidin-1-yl]quinolin-1-ium

Systemtic Name: 6-fluoranyl-3-(4-methylphenyl)sulfonyl-4-[(3R)-3-methylpiperidin-1-yl]quinolin-1-ium Openeye Name: 6-fluoro-4-[(3R)-3-methyl-1-piperidyl]-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-fluoro-3-(4-methylphenyl)sulfonyl-4-[(3R)-3-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 6-fluoro-3-(4-methylphenyl)sulfonyl-4-[(3R)-3-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 6-fluoro-4-[(3R)-3-methylpiperidino]-3-tosyl-quinolin-1-ium Formula: C22H24FN2O2S+ MolecularWeight: 399.501563

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)C)F

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)C)F

InChI

InChI=1S/C22H23FN2O2S/c1-15-5-8-18(9-6-15)28(26,27)21-13-24-20-10-7-17(23)12-19(20)22(21)25-11-3-4-16(2)14-25/h5-10,12-13,16H,3-4,11,14H2,1-2H3/p+1/t16-/m1/s1