[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-dithiazol-3-ylidene]-dimethyl-azanium perchlorate

Systemtic Name: [5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-dithiazol-3-ylidene]-dimethyl-azanium perchlorate Openeye Name: [5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-dithiazol-3-ylidene]-dimethyl-ammonium perchlorate CAS Name: [5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-dithiazol-3-ylidene]-dimethylammonium perchlorate IUPAC Name: [5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-dithiazol-3-ylidene]-dimethylazanium perchlorate Traditional Name: [5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-dithiazol-3-ylidene]-dimethyl-ammonium perchlorate Formula: C13H16ClN3O4S2 MolecularWeight: 377.86684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1N=C(SS1)N2CCC3=CC=CC=C3C2)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+](=C1N=C(SS1)N2CCC3=CC=CC=C3C2)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H16N3S2.ClHO4/c1-15(2)12-14-13(18-17-12)16-8-7-10-5-3-4-6-11(10)9-16;2-1(3,4)5/h3-6H,7-9H2,1-2H3;(H,2,3,4,5)/q+1;/p-1