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

Systemtic Name: 2-benzo[e][1]benzofuran-1-yl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-benzo[e]benzofuran-1-yl-1-(4-benzylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(1-benzo[e]benzofuranyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-benzo[e][1]benzofuran-1-yl-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-benzo[e]benzofuran-1-yl-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Formula: C25H25N2O2+ MolecularWeight: 385.4782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C25H24N2O2/c28-24(27-14-12-26(13-15-27)17-19-6-2-1-3-7-19)16-21-18-29-23-11-10-20-8-4-5-9-22(20)25(21)23/h1-11,18H,12-17H2/p+1