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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(5-fluoro-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(5-fluoro-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-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:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(O3)C=CC(=C4)F)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(O3)C=CC(=C4)F)C)C

InChI

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