4-methyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-methyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-methyl-N-(4-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-methyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C12H17N4O2S+ MolecularWeight: 281.35398

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O2S/c1-14-6-8-15(9-7-14)12(19)13-10-2-4-11(5-3-10)16(17)18/h2-5H,6-9H2,1H3,(H,13,19)/p+1