N-(4-tert-butyl-2-thianthren-5-ium-5-yl-phenyl)-N-methyl-ethanamide perchlorate

Systemtic Name: N-(4-tert-butyl-2-thianthren-5-ium-5-yl-phenyl)-N-methyl-ethanamide perchlorate Openeye Name: N-(4-tert-butyl-2-thianthren-5-ium-5-yl-phenyl)-N-methyl-acetamide perchlorate CAS Name: N-[4-tert-butyl-2-(5-thianthren-5-iumyl)phenyl]-N-methylacetamide perchlorate IUPAC Name: N-(4-tert-butyl-2-thianthren-5-ium-5-ylphenyl)-N-methylacetamide perchlorate Traditional Name: N-(4-tert-butyl-2-thianthren-5-ium-5-yl-phenyl)-N-methyl-acetamide perchlorate Formula: C25H26ClNO5S2 MolecularWeight: 520.06064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=C(C=C(C=C1)C(C)(C)C)[S+]2C3=CC=CC=C3SC4=CC=CC=C42.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(=O)N(C)C1=C(C=C(C=C1)C(C)(C)C)[S+]2C3=CC=CC=C3SC4=CC=CC=C42.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H26NOS2.ClHO4/c1-17(27)26(5)19-15-14-18(25(2,3)4)16-24(19)29-22-12-8-6-10-20(22)28-21-11-7-9-13-23(21)29;2-1(3,4)5/h6-16H,1-5H3;(H,2,3,4,5)/q+1;/p-1