dimethyl-[3-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]propyl]ammonium Formula: C16H26N5O2S+ MolecularWeight: 352.47494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O2S/c1-18(2)9-3-8-17-16(24)20-12-10-19(11-13-20)14-4-6-15(7-5-14)21(22)23/h4-7H,3,8-13H2,1-2H3,(H,17,24)/p+1