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

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[3-chloro-4-(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=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F)Cl

Isomeric SMILES

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

InChI

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