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

Systemtic Name: N,N-diethyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[methyl-[4-(trifluoromethyl)benzyl]amino]pyridin-1-ium-3-sulfonamide Formula: C18H23F3N3O2S+ MolecularWeight: 402.45433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22F3N3O2S/c1-4-24(5-2)27(25,26)16-10-11-17(22-12-16)23(3)13-14-6-8-15(9-7-14)18(19,20)21/h6-12H,4-5,13H2,1-3H3/p+1