2,6-ditert-butyl-4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[(4-ethyl-1-piperazin-4-iumyl)-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[(4-ethylpiperazin-4-ium-1-yl)-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C21H35N2OS+ MolecularWeight: 363.5804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2OS/c1-8-22-9-11-23(12-10-22)19(25)15-13-16(20(2,3)4)18(24)17(14-15)21(5,6)7/h13-14,25H,8-12H2,1-7H3/p+1