N-(2,6-dimethylphenyl)-2-[4-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(5-ethoxy-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(5-ethoxy-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(5-ethoxy-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C26H32N3O4+ MolecularWeight: 450.54998

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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=C(C=CC=C4C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC(=O)NC4=C(C=CC=C4C)C

InChI

InChI=1S/C26H31N3O4/c1-5-32-20-9-10-22-21(15-20)19(4)25(33-22)26(31)29-13-11-28(12-14-29)16-23(30)27-24-17(2)7-6-8-18(24)3/h6-10,15H,5,11-14,16H2,1-4H3,(H,27,30)/p+1