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

Systemtic Name: 2-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methylcarbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methylthiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C13H23N4OS+ MolecularWeight: 283.41292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4OS/c1-9-7-10(2)16-12(18)11(9)8-15-13(19)14-5-6-17(3)4/h7H,5-6,8H2,1-4H3,(H,16,18)(H2,14,15,19)/p+1