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

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanyl-methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanyl-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-mercaptomethylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanylmethylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-mercapto-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(N2CC[NH+](CC2)CCO)S)C=CC1=O

Isomeric SMILES

COC1=CC(=C(N2CC[NH+](CC2)CCO)S)C=CC1=O

InChI

InChI=1S/C14H20N2O3S/c1-19-13-10-11(2-3-12(13)18)14(20)16-6-4-15(5-7-16)8-9-17/h2-3,10,17,20H,4-9H2,1H3/p+1