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

Systemtic Name: methyl N-(2-methyl-1-thianthren-5-ium-5-yl-propan-2-yl)ethanimidate; perchloric acid; perchlorate Openeye Name: methyl N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-ethyl)ethanimidate; perchloric acid; perchlorate CAS Name: N-[2-methyl-1-(5-thianthren-5-iumyl)propan-2-yl]ethanimidic acid methyl ester; perchloric acid; perchlorate IUPAC Name: methyl N-(2-methyl-1-thianthren-5-ium-5-ylpropan-2-yl)ethanimidate; perchloric acid; perchlorate Traditional Name: N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-ethyl)acetimidic acid methyl ester; perchloric acid; perchlorate Formula: C19H23Cl2NO9S2 MolecularWeight: 544.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=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/C19H22NOS2.2ClHO4/c1-14(21-4)20-19(2,3)13-23-17-11-7-5-9-15(17)22-16-10-6-8-12-18(16)23;2*2-1(3,4)5/h5-12H,13H2,1-4H3;2*(H,2,3,4,5)/q+1;;/p-1