3-[2-(2,4-dimethylphenoxy)ethylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(2,4-dimethylphenoxy)ethylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[2-(2,4-dimethylphenoxy)ethylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(2,4-dimethylphenoxy)ethylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[2-(2,4-dimethylphenoxy)ethylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[2-(2,4-dimethylphenoxy)ethylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H28N3OS+ MolecularWeight: 310.47802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C16H27N3OS/c1-13-6-7-15(14(2)12-13)20-11-9-18-16(21)17-8-5-10-19(3)4/h6-7,12H,5,8-11H2,1-4H3,(H2,17,18,21)/p+1