4-ethyl-N-(3-nitrophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-ethyl-N-(3-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-ethyl-N-(3-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-ethyl-N-(3-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-ethyl-N-(3-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-ethyl-N-(3-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C13H19N4O2S+ MolecularWeight: 295.38056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2S/c1-2-15-6-8-16(9-7-15)13(20)14-11-4-3-5-12(10-11)17(18)19/h3-5,10H,2,6-9H2,1H3,(H,14,20)/p+1