2-benzo[e][1]benzofuran-1-yl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-benzo[e][1]benzofuran-1-yl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-benzo[e]benzofuran-1-yl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(1-benzo[e]benzofuranyl)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-benzo[e][1]benzofuran-1-yl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-benzo[e]benzofuran-1-yl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C26H27N3O2/c1-18-15-21(29-13-11-28(2)12-14-29)8-9-23(18)27-25(30)16-20-17-31-24-10-7-19-5-3-4-6-22(19)26(20)24/h3-10,15,17H,11-14,16H2,1-2H3,(H,27,30)/p+1