2-benzo[e][1]benzofuran-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-benzo[e][1]benzofuran-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-benzo[e]benzofuran-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(1-benzo[e]benzofuranyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-benzo[e][1]benzofuran-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-benzo[e]benzofuran-1-yl-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C23H22N3O2+ MolecularWeight: 372.43968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C23H21N3O2/c27-22(26-13-11-25(12-14-26)21-7-3-4-10-24-21)15-18-16-28-20-9-8-17-5-1-2-6-19(17)23(18)20/h1-10,16H,11-15H2/p+1