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

Systemtic Name: N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-cyano-2-fluoro-benzamide Formula: C19H19ClFN4O+ MolecularWeight: 373.831763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClFN4O/c1-24-6-8-25(9-7-24)18-5-3-14(11-16(18)20)23-19(26)15-4-2-13(12-22)10-17(15)21/h2-5,10-11H,6-9H2,1H3,(H,23,26)/p+1