1-(4-fluorophenyl)-N-methyl-6-oxidanyl-1-[3-(trimethylazaniumyl)propyl]-3H-2-benzofuran-5-carbonitrilium

Systemtic Name: 1-(4-fluorophenyl)-N-methyl-6-oxidanyl-1-[3-(trimethylazaniumyl)propyl]-3H-2-benzofuran-5-carbonitrilium Openeye Name: 1-(4-fluorophenyl)-6-hydroxy-N-methyl-1-[3-(trimethylammonio)propyl]-3H-isobenzofuran-5-carbonitrilium CAS Name: 1-(4-fluorophenyl)-6-hydroxy-N-methyl-1-[3-(trimethylammonio)propyl]-3H-isobenzofuran-5-carbonitrilium IUPAC Name: 1-(4-fluorophenyl)-6-hydroxy-N-methyl-1-[3-(trimethylazaniumyl)propyl]-3H-2-benzofuran-5-carbonitrilium Traditional Name: 1-(4-fluorophenyl)-6-hydroxy-N-methyl-1-[3-(trimethylammonio)propyl]phthalan-5-carbonitrilium Formula: C22H27FN2O2+2 MolecularWeight: 370.460383

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]#CC1=CC2=C(C=C1O)C(OC2)(CCC[N+](C)(C)C)C3=CC=C(C=C3)F

Isomeric SMILES

C[N+]#CC1=CC2=C(C=C1O)C(OC2)(CCC[N+](C)(C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN2O2/c1-24-14-16-12-17-15-27-22(20(17)13-21(16)26,10-5-11-25(2,3)4)18-6-8-19(23)9-7-18/h6-9,12-13H,5,10-11,15H2,1-4H3/q+1/p+1