N-(furan-2-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-ethanamide Openeye Name: N-(2-furylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-acetamide CAS Name: N-(2-furanylmethyl)-2-(4-methyl-1-piperazin-4-iumyl)-2-sulfanylideneacetamide IUPAC Name: N-(furan-2-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylideneacetamide Traditional Name: N-(2-furfuryl)-2-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-acetamide Formula: C12H18N3O2S+ MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)C(=O)NCC2=CC=CO2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)C(=O)NCC2=CC=CO2

InChI

InChI=1S/C12H17N3O2S/c1-14-4-6-15(7-5-14)12(18)11(16)13-9-10-3-2-8-17-10/h2-3,8H,4-7,9H2,1H3,(H,13,16)/p+1