(2S)-2-(1,3-benzodioxol-5-yl)-N-(diphenylmethyl)-2-(3-oxidanylideneazetidin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-N-(diphenylmethyl)-2-(3-oxidanylideneazetidin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N-benzhydryl-2-(1,3-benzodioxol-5-yl)-2-(3-oxoazetidin-1-ium-1-yl)acetamide CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-N-(diphenylmethyl)-2-(3-oxo-1-azetidin-1-iumyl)acetamide IUPAC Name: (2S)-N-benzhydryl-2-(1,3-benzodioxol-5-yl)-2-(3-oxoazetidin-1-ium-1-yl)acetamide Traditional Name: (2S)-N-benzhydryl-2-(1,3-benzodioxol-5-yl)-2-(3-ketoazetidin-1-ium-1-yl)acetamide Formula: C25H23N2O4+ MolecularWeight: 415.46112

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C[NH+]1C(C2=CC3=C(C=C2)OCO3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(=O)C[NH+]1[C@@H](C2=CC3=C(C=C2)OCO3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N2O4/c28-20-14-27(15-20)24(19-11-12-21-22(13-19)31-16-30-21)25(29)26-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,23-24H,14-16H2,(H,26,29)/p+1/t24-/m0/s1