N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(phenoxymethyl)benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(phenoxymethyl)-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(phenoxymethyl)coumarilamide Formula: C26H27N2O4+ MolecularWeight: 431.50358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C26H26N2O4/c29-26(27-17-22(24-13-8-16-30-24)28-14-6-7-15-28)25-21(18-31-19-9-2-1-3-10-19)20-11-4-5-12-23(20)32-25/h1-5,8-13,16,22H,6-7,14-15,17-18H2,(H,27,29)/p+1/t22-/m0/s1