3-[[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C15H27BrN4S2+2 MolecularWeight: 407.43568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CC[NH+](CC1)CC2=CC=C(S2)Br

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CC[NH+](CC1)CC2=CC=C(S2)Br

InChI

InChI=1S/C15H25BrN4S2/c1-18(2)7-3-6-17-15(21)20-10-8-19(9-11-20)12-13-4-5-14(16)22-13/h4-5H,3,6-12H2,1-2H3,(H,17,21)/p+2