N-[1-[(2S)-2,4-dicyanobutyl]piperidin-1-ium-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[(2S)-2,4-dicyanobutyl]piperidin-1-ium-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-[(2S)-2,4-dicyanobutyl]piperidin-1-ium-4-yl]-4-fluoro-benzamide CAS Name: N-[1-[(2S)-2,4-dicyanobutyl]-4-piperidin-1-iumyl]-4-fluorobenzamide IUPAC Name: N-[1-[(2S)-2,4-dicyanobutyl]piperidin-1-ium-4-yl]-4-fluorobenzamide Traditional Name: N-[1-[(2S)-2,4-dicyanobutyl]piperidin-1-ium-4-yl]-4-fluoro-benzamide Formula: C18H22FN4O+ MolecularWeight: 329.391883

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)F)CC(CCC#N)C#N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)F)C[C@H](CCC#N)C#N

InChI

InChI=1S/C18H21FN4O/c19-16-5-3-15(4-6-16)18(24)22-17-7-10-23(11-8-17)13-14(12-21)2-1-9-20/h3-6,14,17H,1-2,7-8,10-11,13H2,(H,22,24)/p+1/t14-/m1/s1