4-[[4-[2-(3-fluorophenyl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3-fluorophenyl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3-fluorophenyl)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H21FN3O+ MolecularWeight: 338.398643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H20FN3O/c21-19-3-1-2-18(12-19)13-20(25)24-10-8-23(9-11-24)15-17-6-4-16(14-22)5-7-17/h1-7,12H,8-11,13,15H2/p+1