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

Systemtic Name: [3-(4-cyanophenoxy)-2-oxidanyl-propyl]-diethyl-(3-sulfinylpropyl)azanium Openeye Name: [3-(4-cyanophenoxy)-2-hydroxy-propyl]-diethyl-(3-sulfinylpropyl)ammonium CAS Name: [3-(4-cyanophenoxy)-2-hydroxypropyl]-diethyl-(3-sulfinylpropyl)ammonium IUPAC Name: [3-(4-cyanophenoxy)-2-hydroxypropyl]-diethyl-(3-sulfinylpropyl)azanium Traditional Name: [3-(4-cyanophenoxy)-2-hydroxy-propyl]-diethyl-(3-sulfinylpropyl)ammonium Formula: C17H25N2O3S+ MolecularWeight: 337.457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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