N-(4,5-dimethyl-2-thianthren-5-ium-5-yl-phenyl)-N-ethyl-ethanamide perchlorate

Systemtic Name: N-(4,5-dimethyl-2-thianthren-5-ium-5-yl-phenyl)-N-ethyl-ethanamide perchlorate Openeye Name: N-(4,5-dimethyl-2-thianthren-5-ium-5-yl-phenyl)-N-ethyl-acetamide perchlorate CAS Name: N-[4,5-dimethyl-2-(5-thianthren-5-iumyl)phenyl]-N-ethylacetamide perchlorate IUPAC Name: N-(4,5-dimethyl-2-thianthren-5-ium-5-ylphenyl)-N-ethylacetamide perchlorate Traditional Name: N-(4,5-dimethyl-2-thianthren-5-ium-5-yl-phenyl)-N-ethyl-acetamide perchlorate Formula: C24H24ClNO5S2 MolecularWeight: 506.03406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24NOS2.ClHO4/c1-5-25(18(4)26)19-14-16(2)17(3)15-24(19)28-22-12-8-6-10-20(22)27-21-11-7-9-13-23(21)28;2-1(3,4)5/h6-15H,5H2,1-4H3;(H,2,3,4,5)/q+1;/p-1