[4-(2,5-dimethoxyphenyl)-4-oxidanyl-4-phenyl-butan-2-yl]-trimethyl-azanium iodide

Systemtic Name: [4-(2,5-dimethoxyphenyl)-4-oxidanyl-4-phenyl-butan-2-yl]-trimethyl-azanium iodide Openeye Name: [3-(2,5-dimethoxyphenyl)-3-hydroxy-1-methyl-3-phenyl-propyl]-trimethyl-ammonium iodide CAS Name: [4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-trimethylammonium iodide IUPAC Name: [4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-trimethylazanium iodide Traditional Name: [3-(2,5-dimethoxyphenyl)-3-hydroxy-1-methyl-3-phenyl-propyl]-trimethyl-ammonium iodide Formula: C21H30INO3 MolecularWeight: 471.37227

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)[N+](C)(C)C.[I-]

Isomeric SMILES

CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)[N+](C)(C)C.[I-]

InChI

InChI=1S/C21H30NO3.HI/c1-16(22(2,3)4)15-21(23,17-10-8-7-9-11-17)19-14-18(24-5)12-13-20(19)25-6;/h7-14,16,23H,15H2,1-6H3;1H/q+1;/p-1