3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 3-[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Formula: C25H22F2N3O+ MolecularWeight: 418.458486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H21F2N3O/c26-22-8-4-19(5-9-22)24(20-6-10-23(27)11-7-20)29-12-14-30(15-13-29)25(31)21-3-1-2-18(16-21)17-28/h1-11,16,24H,12-15H2/p+1