2-[4-(3-methylbenzo[g][1]benzofuran-2-yl)carbonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(3-methylbenzo[g][1]benzofuran-2-yl)carbonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(3-methylbenzo[g]benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(3-methyl-2-benzo[g]benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(3-methylbenzo[g]benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C26H26N3O3+ MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N4CC[NH+](CC4)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N4CC[NH+](CC4)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3/c1-18-21-12-11-19-7-5-6-10-22(19)25(21)32-24(18)26(31)29-15-13-28(14-16-29)17-23(30)27-20-8-3-2-4-9-20/h2-12H,13-17H2,1H3,(H,27,30)/p+1