trimethyl-[[4-[(E)-1-oxidanyl-3-phenyl-prop-2-enyl]-1,3-benzodioxol-5-yl]methyl]azanium iodide

Systemtic Name: trimethyl-[[4-[(E)-1-oxidanyl-3-phenyl-prop-2-enyl]-1,3-benzodioxol-5-yl]methyl]azanium iodide Openeye Name: [4-[(E)-1-hydroxy-3-phenyl-allyl]-1,3-benzodioxol-5-yl]methyl-trimethyl-ammonium iodide CAS Name: [4-[(E)-1-hydroxy-3-phenylprop-2-enyl]-1,3-benzodioxol-5-yl]methyl-trimethylammonium iodide IUPAC Name: [4-[(E)-1-hydroxy-3-phenylprop-2-enyl]-1,3-benzodioxol-5-yl]methyl-trimethylazanium iodide Traditional Name: [4-[(E)-1-hydroxy-3-phenyl-allyl]-1,3-benzodioxol-5-yl]methyl-trimethyl-ammonium iodide Formula: C20H24INO3 MolecularWeight: 453.31393

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=C(C2=C(C=C1)OCO2)C(C=CC3=CC=CC=C3)O.[I-]

Isomeric SMILES

C[N+](C)(C)CC1=C(C2=C(C=C1)OCO2)C(/C=C/C3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C20H24NO3.HI/c1-21(2,3)13-16-10-12-18-20(24-14-23-18)19(16)17(22)11-9-15-7-5-4-6-8-15;/h4-12,17,22H,13-14H2,1-3H3;1H/q+1;/p-1/b11-9+;