4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C13H19N2O2S+ MolecularWeight: 267.36716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=C2C=CC(=O)C=C2)S

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=C2C=CC(=O)C=C2)S

InChI

InChI=1S/C13H18N2O2S/c16-10-9-14-5-7-15(8-6-14)13(18)11-1-3-12(17)4-2-11/h1-4,16,18H,5-10H2/p+1