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

Systemtic Name: 3-chloranyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-6-fluoro-benzothiophene-2-carboxamide Formula: C22H24ClFN3OS+ MolecularWeight: 432.961863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClFN3OS/c1-3-26-8-10-27(11-9-26)16-5-7-18(14(2)12-16)25-22(28)21-20(23)17-6-4-15(24)13-19(17)29-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,25,28)/p+1