3-(3,4-dimethylphenyl)sulfonyl-6-fluoranyl-4-piperidin-1-yl-quinolin-1-ium

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoranyl-4-piperidin-1-yl-quinolin-1-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-(1-piperidyl)quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-(1-piperidinyl)quinolin-1-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-piperidin-1-ylquinolin-1-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-piperidino-quinolin-1-ium Formula: C22H24FN2O2S+ MolecularWeight: 399.501563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCCC4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCCC4)F)C

InChI

InChI=1S/C22H23FN2O2S/c1-15-6-8-18(12-16(15)2)28(26,27)21-14-24-20-9-7-17(23)13-19(20)22(21)25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11H2,1-2H3/p+1