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

Systemtic Name: 2-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-ethoxy-4-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C15H23N2O3S+ MolecularWeight: 311.41972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(N2CC[NH+](CC2)CCO)S)C=CC1=O

Isomeric SMILES

CCOC1=CC(=C(N2CC[NH+](CC2)CCO)S)C=CC1=O

InChI

InChI=1S/C15H22N2O3S/c1-2-20-14-11-12(3-4-13(14)19)15(21)17-7-5-16(6-8-17)9-10-18/h3-4,11,18,21H,2,5-10H2,1H3/p+1