3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H27BrN3O2S+ MolecularWeight: 405.37348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NCCC1=CC(=C(C=C1Br)OC)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)NCCC1=CC(=C(C=C1Br)OC)OC

InChI

InChI=1S/C16H26BrN3O2S/c1-20(2)9-5-7-18-16(23)19-8-6-12-10-14(21-3)15(22-4)11-13(12)17/h10-11H,5-9H2,1-4H3,(H2,18,19,23)/p+1