2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-indan-5-yloxy-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-indan-5-yloxy-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C20H23N3O2/c24-20(15-25-19-5-4-16-2-1-3-17(16)14-19)23-12-10-22(11-13-23)18-6-8-21-9-7-18/h4-9,14H,1-3,10-13,15H2/p+1