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

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(5-ethoxy-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(5-ethoxy-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(5-ethoxy-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C24H27ClN3O4+ MolecularWeight: 456.94188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C24H26ClN3O4/c1-3-31-17-8-9-21-18(14-17)16(2)23(32-21)24(30)28-12-10-27(11-13-28)15-22(29)26-20-7-5-4-6-19(20)25/h4-9,14H,3,10-13,15H2,1-2H3,(H,26,29)/p+1