2-[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C23H24ClFN3O2S+ MolecularWeight: 460.971963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C23H23ClFN3O2S/c1-2-15-5-3-4-6-18(15)26-20(29)14-27-9-11-28(12-10-27)23(30)22-21(24)17-8-7-16(25)13-19(17)31-22/h3-8,13H,2,9-12,14H2,1H3,(H,26,29)/p+1