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

Systemtic Name: N-(4-nitrophenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-nitrophenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-nitrophenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-nitrophenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-nitrophenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C14H21N4O2S+ MolecularWeight: 309.40714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S/c1-2-7-16-8-10-17(11-9-16)14(21)15-12-3-5-13(6-4-12)18(19)20/h3-6H,2,7-11H2,1H3,(H,15,21)/p+1