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

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-(phenoxymethyl)benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-(phenoxymethyl)-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-(phenoxymethyl)coumarilamide Formula: C26H27N2O4S+ MolecularWeight: 463.56858

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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=CS5

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C26H26N2O4S/c29-26(27-17-22(24-11-6-16-33-24)28-12-14-30-15-13-28)25-21(18-31-19-7-2-1-3-8-19)20-9-4-5-10-23(20)32-25/h1-11,16,22H,12-15,17-18H2,(H,27,29)/p+1/t22-/m0/s1