[3-(4-cyanophenoxy)-2-oxidanyl-propyl]-diethyl-(3-propylsulfinylpropyl)azanium iodide

Systemtic Name: [3-(4-cyanophenoxy)-2-oxidanyl-propyl]-diethyl-(3-propylsulfinylpropyl)azanium iodide Openeye Name: [3-(4-cyanophenoxy)-2-hydroxy-propyl]-diethyl-(3-propylsulfinylpropyl)ammonium iodide CAS Name: [3-(4-cyanophenoxy)-2-hydroxypropyl]-diethyl-(3-propylsulfinylpropyl)ammonium iodide IUPAC Name: [3-(4-cyanophenoxy)-2-hydroxypropyl]-diethyl-(3-propylsulfinylpropyl)azanium iodide Traditional Name: [3-(4-cyanophenoxy)-2-hydroxy-propyl]-diethyl-(3-propylsulfinylpropyl)ammonium iodide Formula: C20H33IN2O3S MolecularWeight: 508.45709

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)CCC[N+](CC)(CC)CC(COC1=CC=C(C=C1)C#N)O.[I-]

Isomeric SMILES

CCCS(=O)CCC[N+](CC)(CC)CC(COC1=CC=C(C=C1)C#N)O.[I-]

InChI

InChI=1S/C20H33N2O3S.HI/c1-4-13-26(24)14-7-12-22(5-2,6-3)16-19(23)17-25-20-10-8-18(15-21)9-11-20;/h8-11,19,23H,4-7,12-14,16-17H2,1-3H3;1H/q+1;/p-1