[(2S)-3-(3-acetyloxy-4-phenylmethoxy-phenyl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]azanium chloride

Systemtic Name: [(2S)-3-(3-acetyloxy-4-phenylmethoxy-phenyl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]azanium chloride Openeye Name: [(1S)-1-[(3-acetoxy-4-benzyloxy-phenyl)methyl]-2-benzyloxy-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-3-(3-acetyloxy-4-phenylmethoxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]ammonium chloride IUPAC Name: [(2S)-3-(3-acetyloxy-4-phenylmethoxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride Traditional Name: [(1S)-1-(3-acetoxy-4-benzoxy-benzyl)-2-benzoxy-2-keto-ethyl]ammonium chloride Formula: C25H26ClNO5 MolecularWeight: 455.93064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)CC(C(=O)OCC2=CC=CC=C2)[NH3+])OCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)[NH3+])OCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C25H25NO5.ClH/c1-18(27)31-24-15-21(12-13-23(24)29-16-19-8-4-2-5-9-19)14-22(26)25(28)30-17-20-10-6-3-7-11-20;/h2-13,15,22H,14,16-17,26H2,1H3;1H/t22-;/m0./s1