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

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C13H19N2OS+ MolecularWeight: 251.36776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2OS/c1-2-14-7-9-15(10-8-14)13(17)11-3-5-12(16)6-4-11/h3-6,17H,2,7-10H2,1H3/p+1