2-benzo[e][1]benzofuran-1-yl-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-benzo[e][1]benzofuran-1-yl-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-benzo[e]benzofuran-1-yl-ethanone CAS Name: 2-(1-benzo[e]benzofuranyl)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-benzo[e][1]benzofuran-1-ylethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-benzo[e]benzofuran-1-yl-ethanone Formula: C31H29N2O2+ MolecularWeight: 461.57416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC4=COC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC4=COC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C31H28N2O2/c34-29(21-26-22-35-28-16-15-23-9-7-8-14-27(23)30(26)28)32-17-19-33(20-18-32)31(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-16,22,31H,17-21H2/p+1