dimethyl-[3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-(3-thienylmethyl)piperazin-4-ium-1-carbothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[sulfanylidene-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[4-(3-thenyl)piperazin-4-ium-1-carbothioyl]amino]propyl]ammonium Formula: C15H28N4S2+2 MolecularWeight: 328.53962

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CC[NH+](CC1)CC2=CSC=C2

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CC[NH+](CC1)CC2=CSC=C2

InChI

InChI=1S/C15H26N4S2/c1-17(2)6-3-5-16-15(20)19-9-7-18(8-10-19)12-14-4-11-21-13-14/h4,11,13H,3,5-10,12H2,1-2H3,(H,16,20)/p+2