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

Systemtic Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[2-[3-(dimethylaminomethyl)-1-keto-6-methoxy-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-4-fluoro-benzenesulfonamide Formula: C27H29FN3O4S+ MolecularWeight: 510.600263

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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=C(C=C4)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=C(C=C4)F

InChI

InChI=1S/C27H29FN3O4S/c1-30(2)18-25-26(19-7-5-4-6-8-19)24-17-21(35-3)11-14-23(24)27(32)31(25)16-15-29-36(33,34)22-12-9-20(28)10-13-22/h4-14,17,26,29H,15-16,18H2,1-3H3/q+1