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3-(3,4-dimethylphenyl)sulfonyl-N,N-diethyl-6-fluoranyl-quinolin-1-ium-4-amine

3-(3,4-dimethylphenyl)sulfonyl-N,N-diethyl-6-fluoranyl-quinolin-1-ium-4-amine

Systemtic Name:3-(3,4-dimethylphenyl)sulfonyl-N,N-diethyl-6-fluoranyl-quinolin-1-ium-4-amine
Openeye Name:3-(3,4-dimethylphenyl)sulfonyl-N,N-diethyl-6-fluoro-quinolin-1-ium-4-amine
CAS Name:3-(3,4-dimethylphenyl)sulfonyl-N,N-diethyl-6-fluoro-4-quinolin-1-iumamine
IUPAC Name:3-(3,4-dimethylphenyl)sulfonyl-N,N-diethyl-6-fluoroquinolin-1-ium-4-amine
Traditional Name:[3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-quinolin-1-ium-4-yl]-diethyl-amine
Formula: C21H24FN2O2S+
MolecularWeight: 387.490863
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C=C(C=CC2=[NH+]C=C1S(=O)(=O)C3=CC(=C(C=C3)C)C)F


Isomeric SMILES

CCN(CC)C1=C2C=C(C=CC2=[NH+]C=C1S(=O)(=O)C3=CC(=C(C=C3)C)C)F


InChI

InChI=1S/C21H23FN2O2S/c1-5-24(6-2)21-18-12-16(22)8-10-19(18)23-13-20(21)27(25,26)17-9-7-14(3)15(4)11-17/h7-13H,5-6H2,1-4H3/p+1


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