1-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-4-sulfanyl-butan-1-one

Systemtic Name: 1-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-4-sulfanyl-butan-1-one Openeye Name: 1-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-4-sulfanyl-butan-1-one CAS Name: 1-[1-(2-hydroxyethyl)-1-piperazin-1-iumyl]-4-mercapto-1-butanone IUPAC Name: 1-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-4-sulfanylbutan-1-one Traditional Name: 1-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-4-mercapto-butan-1-one Formula: C10H21N2O2S+ MolecularWeight: 233.35094

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCO)C(=O)CCCS

Isomeric SMILES

C1C[N+](CCN1)(CCO)C(=O)CCCS

InChI

InChI=1S/C10H20N2O2S/c13-8-7-12(5-3-11-4-6-12)10(14)2-1-9-15/h11,13H,1-9H2/p+1