2-[(4-bromanyl-2-methyl-phenyl)carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-bromanyl-2-methyl-phenyl)carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-bromo-2-methyl-phenyl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-bromo-2-methylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-bromo-2-methylphenyl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C12H19BrN3S+ MolecularWeight: 317.26836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=S)NCC[NH+](C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=S)NCC[NH+](C)C

InChI

InChI=1S/C12H18BrN3S/c1-9-8-10(13)4-5-11(9)15-12(17)14-6-7-16(2)3/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17)/p+1