6-[[4-[bis(fluoranyl)methoxy]phenyl]methyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[[4-[bis(fluoranyl)methoxy]phenyl]methyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[[4-(difluoromethoxy)phenyl]methyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[[4-(difluoromethoxy)benzyl]-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C18H24F2N3O3S+ MolecularWeight: 400.463266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CC2=CC=C(C=C2)OC(F)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CC2=CC=C(C=C2)OC(F)F

InChI

InChI=1S/C18H23F2N3O3S/c1-4-23(5-2)27(24,25)16-10-11-17(21-12-16)22(3)13-14-6-8-15(9-7-14)26-18(19)20/h6-12,18H,4-5,13H2,1-3H3/p+1