iron(3+); (4-methylpiperazin-1-yl)-sulfaniumylidene-methanethiolate

Systemtic Name: iron(3+); (4-methylpiperazin-1-yl)-sulfaniumylidene-methanethiolate Openeye Name: ferric (4-methylpiperazin-1-yl)-sulfoniumylidene-methanethiolate CAS Name: iron(3+); (4-methyl-1-piperazinyl)-sulfoniumylidenemethanethiolate IUPAC Name: iron(3+); (4-methylpiperazin-1-yl)-sulfoniumylidenemethanethiolate Traditional Name: ferric (4-methylpiperazino)-sulfoniumylidene-methanethiolate Formula: C18H36FeN6S6+3 MolecularWeight: 584.75364

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=[SH+])[S-].CN1CCN(CC1)C(=[SH+])[S-].CN1CCN(CC1)C(=[SH+])[S-].[Fe+3]

Isomeric SMILES

CN1CCN(CC1)C(=[SH+])[S-].CN1CCN(CC1)C(=[SH+])[S-].CN1CCN(CC1)C(=[SH+])[S-].[Fe+3]

InChI

InChI=1S/3C6H12N2S2.Fe/c3*1-7-2-4-8(5-3-7)6(9)10;/h3*2-5H2,1H3,(H,9,10);/q;;;+3