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

Systemtic Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone CAS Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone Formula: C22H27N2O2S2+ MolecularWeight: 415.59198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2S2/c25-21(17-26-20-8-6-19(7-9-20)22-27-14-15-28-22)24-12-10-23(11-13-24)16-18-4-2-1-3-5-18/h1-9,22H,10-17H2/p+1