4-fluoranyl-3-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-fluoro-3-[[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-fluoro-3-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-fluoro-3-[[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C19H26FN4O+ MolecularWeight: 345.434343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C19H25FN4O/c20-18-5-4-16(13-21)12-17(18)14-22-8-10-23(11-9-22)15-19(25)24-6-2-1-3-7-24/h4-5,12H,1-3,6-11,14-15H2/p+1