2-[2-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-2-keto-ethyl]thio]acetate Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)CSCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)CSCC(=O)[O-]

InChI

InChI=1S/C21H22N2O3S/c24-19(13-27-14-20(25)26)22-9-11-23(12-10-22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,21H,9-14H2,(H,25,26)