N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(phenoxymethyl)benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(phenoxymethyl)-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(phenoxymethyl)coumarilamide Formula: C28H28FN2O4+ MolecularWeight: 475.531323

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H27FN2O4/c29-21-12-10-20(11-13-21)25(31-14-16-33-17-15-31)18-30-28(32)27-24(19-34-22-6-2-1-3-7-22)23-8-4-5-9-26(23)35-27/h1-13,25H,14-19H2,(H,30,32)/p+1/t25-/m1/s1