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

Systemtic Name: 5-(2-fluorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]thiophene-2-carboxamide Openeye Name: 5-(2-fluorophenyl)-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]thiophene-2-carboxamide CAS Name: 5-(2-fluorophenyl)-N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-(2-fluorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]thiophene-2-carboxamide Traditional Name: 5-(2-fluorophenyl)-N-[(2-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=C(C=CC=[NH+]2)CNC(=O)C3=CC=C(S3)C4=CC=CC=C4F

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=C(S3)C4=CC=CC=C4F

InChI

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