dimethyl-[[(2S,3S)-3-oxidanyl-3-phenyl-2H-1,4-benzodioxin-2-yl]methyl]azanium perchlorate

Systemtic Name: dimethyl-[[(2S,3S)-3-oxidanyl-3-phenyl-2H-1,4-benzodioxin-2-yl]methyl]azanium perchlorate Openeye Name: [(2S,3S)-3-hydroxy-3-phenyl-2H-1,4-benzodioxin-2-yl]methyl-dimethyl-ammonium perchlorate CAS Name: [(2S,3S)-3-hydroxy-3-phenyl-2H-1,4-benzodioxin-2-yl]methyl-dimethylammonium perchlorate IUPAC Name: [(2S,3S)-3-hydroxy-3-phenyl-2H-1,4-benzodioxin-2-yl]methyl-dimethylazanium perchlorate Traditional Name: [(2S,3S)-3-hydroxy-3-phenyl-2H-1,4-benzodioxin-2-yl]methyl-dimethyl-ammonium perchlorate Formula: C17H20ClNO7 MolecularWeight: 385.7962

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1C(OC2=CC=CC=C2O1)(C3=CC=CC=C3)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[NH+](C)C[C@H]1[C@@](OC2=CC=CC=C2O1)(C3=CC=CC=C3)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H19NO3.ClHO4/c1-18(2)12-16-17(19,13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)20-16;2-1(3,4)5/h3-11,16,19H,12H2,1-2H3;(H,2,3,4,5)/t16-,17-;/m0./s1