1-(4-phenethylpiperazin-4-ium-1-yl)-2-phenylsulfanyl-ethanone

Systemtic Name: 1-(4-phenethylpiperazin-4-ium-1-yl)-2-phenylsulfanyl-ethanone Openeye Name: 1-(4-phenethylpiperazin-4-ium-1-yl)-2-phenylsulfanyl-ethanone CAS Name: 1-(4-phenethyl-1-piperazin-4-iumyl)-2-(phenylthio)ethanone IUPAC Name: 1-(4-phenethylpiperazin-4-ium-1-yl)-2-phenylsulfanylethanone Traditional Name: 1-(4-phenethylpiperazin-4-ium-1-yl)-2-(phenylthio)ethanone Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H24N2OS/c23-20(17-24-19-9-5-2-6-10-19)22-15-13-21(14-16-22)12-11-18-7-3-1-4-8-18/h1-10H,11-17H2/p+1