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

Systemtic Name: 2,6-dimethoxy-4-[(4-methylpiperazin-4-ium-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-dimethoxy-4-[(4-methylpiperazin-4-ium-1-yl)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[mercapto-(4-methyl-1-piperazin-4-iumyl)methylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-dimethoxy-4-[(4-methylpiperazin-4-ium-1-yl)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[mercapto-(4-methylpiperazin-4-ium-1-yl)methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-15-4-6-16(7-5-15)14(20)10-8-11(18-2)13(17)12(9-10)19-3/h8-9,20H,4-7H2,1-3H3/p+1