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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoranyl-4-pyrrolidin-1-yl-quinolin-1-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-pyrrolidin-1-yl-quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-(1-pyrrolidinyl)quinolin-1-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-pyrrolidin-1-ylquinolin-1-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-pyrrolidino-quinolin-1-ium Formula: C21H22FN2O2S+ MolecularWeight: 385.474983

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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=C2N4CCCC4)F)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O2S/c1-14-5-7-17(11-15(14)2)27(25,26)20-13-23-19-8-6-16(22)12-18(19)21(20)24-9-3-4-10-24/h5-8,11-13H,3-4,9-10H2,1-2H3/p+1