3-[(2-bromanyl-4-methyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2-bromanyl-4-methyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(2-bromo-4-methyl-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(2-bromo-4-methylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-bromo-4-methylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2-bromo-4-methyl-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H21BrN3S+ MolecularWeight: 331.29494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrN3S/c1-10-5-6-12(11(14)9-10)16-13(18)15-7-4-8-17(2)3/h5-6,9H,4,7-8H2,1-3H3,(H2,15,16,18)/p+1