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

Systemtic Name: 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-cyclohexyl-N-(4-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C17H25N4O2S+ MolecularWeight: 349.471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O2S/c22-21(23)16-8-6-14(7-9-16)18-17(24)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2,(H,18,24)/p+1