(3S)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C26H27N2O4+ MolecularWeight: 431.50358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4)C5=CC=CO5

InChI

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