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

Systemtic Name: 2-[4-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(5-chloro-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(5-chloro-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(5-chloro-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C24H27ClN3O3+ MolecularWeight: 440.94248

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O3/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