2-fluoranyl-6-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxo-ethyl]piperazin-4-ium-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[2-[(2S)-2-methyl-4-morpholinyl]-2-oxoethyl]-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-[2-keto-2-[(2S)-2-methylmorpholino]ethyl]piperazin-4-ium-1-yl]benzonitrile Formula: C18H24FN4O2+ MolecularWeight: 347.407163

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C[C@H]1CN(CCO1)C(=O)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C18H23FN4O2/c1-14-12-23(9-10-25-14)18(24)13-21-5-7-22(8-6-21)17-4-2-3-16(19)15(17)11-20/h2-4,14H,5-10,12-13H2,1H3/p+1/t14-/m0/s1