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

Systemtic Name: 2,6-ditert-butyl-4-[(4-methylpiperazin-4-ium-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[(4-methylpiperazin-4-ium-1-yl)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[mercapto-(4-methyl-1-piperazin-4-iumyl)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[(4-methylpiperazin-4-ium-1-yl)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[mercapto-(4-methylpiperazin-4-ium-1-yl)methylene]cyclohexa-2,5-dien-1-one Formula: C20H33N2OS+ MolecularWeight: 349.55382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(N2CC[NH+](CC2)C)S)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(N2CC[NH+](CC2)C)S)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C20H32N2OS/c1-19(2,3)15-12-14(13-16(17(15)23)20(4,5)6)18(24)22-10-8-21(7)9-11-22/h12-13,24H,8-11H2,1-7H3/p+1