N-[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[3-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-cyano-2-fluoro-benzamide Formula: C20H21ClFN4O+ MolecularWeight: 387.858343

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C20H20ClFN4O/c1-2-25-8-10-26(11-9-25)19-16(21)4-3-5-18(19)24-20(27)15-7-6-14(13-23)12-17(15)22/h3-7,12H,2,8-11H2,1H3,(H,24,27)/p+1