4-[[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,4-difluorobenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3,4-difluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,4-difluorobenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3,4-difluorobenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H18F2N3O+ MolecularWeight: 342.362526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F2N3O/c20-17-6-5-16(11-18(17)21)19(25)24-9-7-23(8-10-24)13-15-3-1-14(12-22)2-4-15/h1-6,11H,7-10,13H2/p+1