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

Systemtic Name: 4-[(2S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2S)-3-[4-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O2/c21-17-3-5-18(6-4-17)24-11-9-23(10-12-24)14-19(25)15-26-20-7-1-16(13-22)2-8-20/h1-8,19,25H,9-12,14-15H2/p+1/t19-/m0/s1