methyl N-(2-methyl-1-thianthren-5-ium-5-yl-propan-2-yl)propanimidate; perchloric acid; perchlorate

Systemtic Name: methyl N-(2-methyl-1-thianthren-5-ium-5-yl-propan-2-yl)propanimidate; perchloric acid; perchlorate Openeye Name: methyl N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-ethyl)propanimidate; perchloric acid; perchlorate CAS Name: N-[2-methyl-1-(5-thianthren-5-iumyl)propan-2-yl]propanimidic acid methyl ester; perchloric acid; perchlorate IUPAC Name: methyl N-(2-methyl-1-thianthren-5-ium-5-ylpropan-2-yl)propanimidate; perchloric acid; perchlorate Traditional Name: N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-ethyl)propionimidic acid methyl ester; perchloric acid; perchlorate Formula: C20H25Cl2NO9S2 MolecularWeight: 558.4498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NC(C)(C)C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)OC.OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC(=NC(C)(C)C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)OC.OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H24NOS2.2ClHO4/c1-5-19(22-4)21-20(2,3)14-24-17-12-8-6-10-15(17)23-16-11-7-9-13-18(16)24;2*2-1(3,4)5/h6-13H,5,14H2,1-4H3;2*(H,2,3,4,5)/q+1;;/p-1