6-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C17H22ClFN3O2S+ MolecularWeight: 386.891883

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H21ClFN3O2S/c1-4-22(5-2)25(23,24)13-9-10-17(20-11-13)21(3)12-14-15(18)7-6-8-16(14)19/h6-11H,4-5,12H2,1-3H3/p+1