(6-fluoranylquinolin-8-yl)methyl-methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium

Systemtic Name: (6-fluoranylquinolin-8-yl)methyl-methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium Openeye Name: (6-fluoro-8-quinolyl)methyl-methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonium CAS Name: (6-fluoro-8-quinolinyl)methyl-methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonium IUPAC Name: (6-fluoroquinolin-8-yl)methyl-methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium Traditional Name: (6-fluoro-8-quinolyl)methyl-[(1S)-1-(4-mesylphenyl)ethyl]-methyl-ammonium Formula: C20H22FN2O2S+ MolecularWeight: 373.464283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)[NH+](C)CC2=C3C(=CC(=C2)F)C=CC=N3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)[NH+](C)CC2=C3C(=CC(=C2)F)C=CC=N3

InChI

InChI=1S/C20H21FN2O2S/c1-14(15-6-8-19(9-7-15)26(3,24)25)23(2)13-17-12-18(21)11-16-5-4-10-22-20(16)17/h4-12,14H,13H2,1-3H3/p+1/t14-/m0/s1