2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C15H23ClN5O2S+ MolecularWeight: 372.89342

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H22ClN5O2S/c1-18(2)6-5-17-15(24)20-9-7-19(8-10-20)13-4-3-12(16)11-14(13)21(22)23/h3-4,11H,5-10H2,1-2H3,(H,17,24)/p+1