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

Systemtic Name: 2-ethoxy-4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-ethoxy-4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-ethoxy-4-[(4-ethyl-1-piperazin-4-iumyl)-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-ethoxy-4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-ethoxy-4-[(4-ethylpiperazin-4-ium-1-yl)-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C15H23N2O2S+ MolecularWeight: 295.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=C2C=CC(=O)C(=C2)OCC)S

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=C2C=CC(=O)C(=C2)OCC)S

InChI

InChI=1S/C15H22N2O2S/c1-3-16-7-9-17(10-8-16)15(20)12-5-6-13(18)14(11-12)19-4-2/h5-6,11,20H,3-4,7-10H2,1-2H3/p+1