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

Systemtic Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)COC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)COC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H25N3O2S2/c25-20(16-26-19-3-1-18(2-4-19)21-27-13-14-28-21)24-11-9-23(10-12-24)15-17-5-7-22-8-6-17/h1-8,21H,9-16H2/p+1