5-(2-fluorophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]thiophene-2-carboxamide

Systemtic Name: 5-(2-fluorophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]thiophene-2-carboxamide Openeye Name: 5-(2-fluorophenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]thiophene-2-carboxamide CAS Name: 5-(2-fluorophenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-(2-fluorophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]thiophene-2-carboxamide Traditional Name: 5-(2-fluorophenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]thiophene-2-carboxamide Formula: C21H21FN3O2S+ MolecularWeight: 398.473743

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(S3)C4=CC=CC=C4F

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(S3)C4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3O2S/c22-17-4-2-1-3-16(17)18-6-7-19(28-18)21(26)24-14-15-5-8-20(23-13-15)25-9-11-27-12-10-25/h1-8,13H,9-12,14H2,(H,24,26)/p+1