N-[3-(4-fluorophenyl)-4-oxidanylidene-thiochromen-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3-(4-fluorophenyl)-4-oxidanylidene-thiochromen-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[3-(4-fluorophenyl)-4-oxo-thiochromen-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[3-(4-fluorophenyl)-4-oxo-1-benzothiopyran-2-yl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[3-(4-fluorophenyl)-4-oxothiochromen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[3-(4-fluorophenyl)-4-keto-thiochromen-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C21H20FN2O2S+ MolecularWeight: 383.459103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](C1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN2O2S/c22-15-9-7-14(8-10-15)19-20(26)16-5-1-2-6-17(16)27-21(19)23-18(25)13-24-11-3-4-12-24/h1-2,5-10H,3-4,11-13H2,(H,23,25)/p+1