[3-(4-cyanophenoxy)-2-oxidanyl-propyl]-diethyl-(3-sulfinylpropyl)azanium; propane; iodide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N2O3S.C3H8.HI/c1-3-19(4-2,10-5-11-23-21)13-16(20)14-22-17-8-6-15(12-18)7-9-17;1-3-2;/h6-9,11,16,20H,3-5,10,13-14H2,1-2H3;3H2,1-2H3;1H/q+1;;/p-1