4-[[4-[(3S)-1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3S)-1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3S)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[(3S)-1-(2-fluorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(3S)-1-(2-fluorophenyl)-5-keto-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H24FN4O2+ MolecularWeight: 407.460663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4F

InChI

InChI=1S/C23H23FN4O2/c24-20-3-1-2-4-21(20)28-16-19(13-22(28)29)23(30)27-11-9-26(10-12-27)15-18-7-5-17(14-25)6-8-18/h1-8,19H,9-13,15-16H2/p+1/t19-/m0/s1