3-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C14H25N4OS+ MolecularWeight: 297.4395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C14H24N4OS/c1-10-8-11(2)17-13(19)12(10)9-16-14(20)15-6-5-7-18(3)4/h8H,5-7,9H2,1-4H3,(H,17,19)(H2,15,16,20)/p+1