(4-isothiocyanatophenyl)-dimethyl-azanium chloride

Systemtic Name: (4-isothiocyanatophenyl)-dimethyl-azanium chloride Openeye Name: (4-isothiocyanatophenyl)-dimethyl-ammonium chloride CAS Name: (4-isothiocyanatophenyl)-dimethylammonium chloride IUPAC Name: (4-isothiocyanatophenyl)-dimethylazanium chloride Traditional Name: (4-isothiocyanatophenyl)-dimethyl-ammonium chloride Formula: C9H11ClN2S MolecularWeight: 214.71504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1=CC=C(C=C1)N=C=S.[Cl-]

Isomeric SMILES

C[NH+](C)C1=CC=C(C=C1)N=C=S.[Cl-]

InChI

InChI=1S/C9H10N2S.ClH/c1-11(2)9-5-3-8(4-6-9)10-7-12;/h3-6H,1-2H3;1H