N-(2-ethylphenyl)-2-[4-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(5-fluoro-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(5-fluoro-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(5-fluoro-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C24H27FN3O3+ MolecularWeight: 424.487883

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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(O3)C=CC(=C4)F)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(O3)C=CC(=C4)F)C

InChI

InChI=1S/C24H26FN3O3/c1-3-17-6-4-5-7-20(17)26-22(29)15-27-10-12-28(13-11-27)24(30)23-16(2)19-14-18(25)8-9-21(19)31-23/h4-9,14H,3,10-13,15H2,1-2H3,(H,26,29)/p+1