N-(2-methoxy-4-nitro-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C15H23N4O3S+ MolecularWeight: 339.43312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3S/c1-3-6-17-7-9-18(10-8-17)15(23)16-13-5-4-12(19(20)21)11-14(13)22-2/h4-5,11H,3,6-10H2,1-2H3,(H,16,23)/p+1