2-[2-oxidanylidene-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]sulfanylethanoate

Systemtic Name: 2-[2-oxidanylidene-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]sulfanylethanoate Openeye Name: 2-[2-oxo-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]sulfanylacetate CAS Name: 2-[[2-oxo-2-(4-phenethyl-1-piperazin-4-iumyl)ethyl]thio]acetate IUPAC Name: 2-[2-oxo-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]thio]acetate Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CSCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CSCC(=O)[O-]

InChI

InChI=1S/C16H22N2O3S/c19-15(12-22-13-16(20)21)18-10-8-17(9-11-18)7-6-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,20,21)