2-[2-(1,3-dithiolan-2-yl)phenoxy]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)COC3=CC=CC=C3C4SCCS4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)COC3=CC=CC=C3C4SCCS4

InChI

InChI=1S/C20H23N3O2S2/c24-19(23-11-9-22(10-12-23)16-5-7-21-8-6-16)15-25-18-4-2-1-3-17(18)20-26-13-14-27-20/h1-8,20H,9-15H2/p+1