[6-(dimethylcarbamothioyloxy)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynyl-azanium chloride

Systemtic Name: [6-(dimethylcarbamothioyloxy)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynyl-azanium chloride Openeye Name: [6-(dimethylcarbamothioyloxy)indan-1-yl]-prop-2-ynyl-ammonium chloride CAS Name: [6-[dimethylamino(sulfanylidene)methoxy]-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylammonium chloride IUPAC Name: [6-(dimethylcarbamothioyloxy)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylazanium chloride Traditional Name: [6-(dimethylthiocarbamoyloxy)indan-1-yl]-propargyl-ammonium chloride Formula: C15H19ClN2OS MolecularWeight: 310.84216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)OC1=CC2=C(CCC2[NH2+]CC#C)C=C1.[Cl-]

Isomeric SMILES

CN(C)C(=S)OC1=CC2=C(CCC2[NH2+]CC#C)C=C1.[Cl-]

InChI

InChI=1S/C15H18N2OS.ClH/c1-4-9-16-14-8-6-11-5-7-12(10-13(11)14)18-15(19)17(2)3;/h1,5,7,10,14,16H,6,8-9H2,2-3H3;1H