7-chloranyl-1-methyl-4-methylsulfanyl-quinazolin-1-ium iodide

Systemtic Name: 7-chloranyl-1-methyl-4-methylsulfanyl-quinazolin-1-ium iodide Openeye Name: 7-chloro-1-methyl-4-methylsulfanyl-quinazolin-1-ium iodide CAS Name: 7-chloro-1-methyl-4-(methylthio)quinazolin-1-ium iodide IUPAC Name: 7-chloro-1-methyl-4-methylsulfanylquinazolin-1-ium iodide Traditional Name: 7-chloro-1-methyl-4-(methylthio)quinazolin-1-ium iodide Formula: C10H10ClIN2S MolecularWeight: 352.62227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=C(N=C1)SC)Cl.[I-]

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=C(N=C1)SC)Cl.[I-]

InChI

InChI=1S/C10H10ClN2S.HI/c1-13-6-12-10(14-2)8-4-3-7(11)5-9(8)13;/h3-6H,1-2H3;1H/q+1;/p-1