2-[4-[(2R)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2R)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(2R)-3-(2-fluorophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2R)-3-(2-fluorophenoxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2R)-3-(2-fluorophenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2R)-3-(2-fluorophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C20H23FN3O4S+ MolecularWeight: 420.477723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC=C2F)O)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC2=CC=CC=C2F)O)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H22FN3O4S/c21-18-6-2-3-7-19(18)28-15-17(25)14-23-9-11-24(12-10-23)29(26,27)20-8-4-1-5-16(20)13-22/h1-8,17,25H,9-12,14-15H2/p+1/t17-/m1/s1