3-chloranyl-6-fluoranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzothiophene-2-carboxamide Formula: C20H20ClFN3OS+ MolecularWeight: 404.908703

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C20H19ClFN3OS/c1-24-8-10-25(11-9-24)15-5-3-14(4-6-15)23-20(26)19-18(21)16-7-2-13(22)12-17(16)27-19/h2-7,12H,8-11H2,1H3,(H,23,26)/p+1