N-(4,5-diethyl-2-thianthren-5-ium-5-yl-phenyl)-N-methyl-ethanamide perchlorate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1CC)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)N(C)C(=O)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=CC(=C(C=C1CC)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)N(C)C(=O)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H26NOS2.ClHO4/c1-5-18-15-20(26(4)17(3)27)25(16-19(18)6-2)29-23-13-9-7-11-21(23)28-22-12-8-10-14-24(22)29;2-1(3,4)5/h7-16H,5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1