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

Systemtic Name: 4-[(4-methylpiperazin-4-ium-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 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]-1-cyclohexa-2,5-dienone IUPAC Name: 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]cyclohexa-2,5-dien-1-one Formula: C12H17N2OS+ MolecularWeight: 237.34118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2OS/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(15)5-3-10/h2-5,16H,6-9H2,1H3/p+1