4-fluoranyl-3-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-4-fluoro-benzonitrile CAS Name: 3-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-4-fluorobenzonitrile Traditional Name: 3-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-4-fluoro-benzonitrile Formula: C19H19FN3O+ MolecularWeight: 324.372063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O/c20-18-7-6-15(13-21)12-17(18)14-22-8-10-23(11-9-22)19(24)16-4-2-1-3-5-16/h1-7,12H,8-11,14H2/p+1