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

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzothiophene-2-carboxamide Formula: C21H22ClFN3OS+ MolecularWeight: 418.935283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClFN3OS/c22-19-17-7-6-15(23)14-18(17)28-20(19)21(27)24-8-9-25-10-12-26(13-11-25)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,24,27)/p+1