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

Systemtic Name: [3-(4-cyanophenoxy)-2-oxidanyl-propyl]-diethyl-(3-propylsulfinylpropyl)azanium Openeye Name: [3-(4-cyanophenoxy)-2-hydroxy-propyl]-diethyl-(3-propylsulfinylpropyl)ammonium CAS Name: [3-(4-cyanophenoxy)-2-hydroxypropyl]-diethyl-(3-propylsulfinylpropyl)ammonium IUPAC Name: [3-(4-cyanophenoxy)-2-hydroxypropyl]-diethyl-(3-propylsulfinylpropyl)azanium Traditional Name: [3-(4-cyanophenoxy)-2-hydroxy-propyl]-diethyl-(3-propylsulfinylpropyl)ammonium Formula: C20H33N2O3S+ MolecularWeight: 381.55262

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N2O3S/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/q+1