4-[[4-[[(4R)-7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-4-yl]carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[[(4R)-7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-4-yl]carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(4R)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[(4R)-7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(4R)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(4R)-7-fluoro-2-keto-3,4-dihydro-1H-quinoline-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C22H22FN4O2+ MolecularWeight: 393.434083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3CC(=O)NC4=C3C=CC(=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)[C@@H]3CC(=O)NC4=C3C=CC(=C4)F

InChI

InChI=1S/C22H21FN4O2/c23-17-5-6-18-19(12-21(28)25-20(18)11-17)22(29)27-9-7-26(8-10-27)14-16-3-1-15(13-24)2-4-16/h1-6,11,19H,7-10,12,14H2,(H,25,28)/p+1/t19-/m1/s1