N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-2-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-2-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[2-[3-(dimethylaminomethyl)-1-keto-6-methoxy-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide Formula: C28H29F3N3O5S+ MolecularWeight: 576.60717

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=[N+](C(=O)C2=C(C1C3=CC=CC=C3)C=C(C=C2)OC)CCNS(=O)(=O)C4=CC=CC=C4OC(F)(F)F

Isomeric SMILES

CN(C)CC1=[N+](C(=O)C2=C(C1C3=CC=CC=C3)C=C(C=C2)OC)CCNS(=O)(=O)C4=CC=CC=C4OC(F)(F)F

InChI

InChI=1S/C28H29F3N3O5S/c1-33(2)18-23-26(19-9-5-4-6-10-19)22-17-20(38-3)13-14-21(22)27(35)34(23)16-15-32-40(36,37)25-12-8-7-11-24(25)39-28(29,30)31/h4-14,17,26,32H,15-16,18H2,1-3H3/q+1