4-[(2R)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2R)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2R)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2R)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzonitrile Formula: C20H23FN3O2+ MolecularWeight: 356.413923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)C#N)O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC2=CC=C(C=C2)C#N)O)C3=CC=CC=C3F

InChI

InChI=1S/C20H22FN3O2/c21-19-3-1-2-4-20(19)24-11-9-23(10-12-24)14-17(25)15-26-18-7-5-16(13-22)6-8-18/h1-8,17,25H,9-12,14-15H2/p+1/t17-/m1/s1