N-(3-acetamido-4-thianthren-5-ium-5-yl-phenyl)ethanamide perchlorate

Systemtic Name: N-(3-acetamido-4-thianthren-5-ium-5-yl-phenyl)ethanamide perchlorate Openeye Name: N-(3-acetamido-4-thianthren-5-ium-5-yl-phenyl)acetamide perchlorate CAS Name: N-[3-acetamido-4-(5-thianthren-5-iumyl)phenyl]acetamide perchlorate IUPAC Name: N-(3-acetamido-4-thianthren-5-ium-5-ylphenyl)acetamide perchlorate Traditional Name: N-(3-acetamido-4-thianthren-5-ium-5-yl-phenyl)acetamide perchlorate Formula: C22H19ClN2O6S2 MolecularWeight: 506.97906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H18N2O2S2.ClHO4/c1-14(25)23-16-11-12-20(17(13-16)24-15(2)26)28-21-9-5-3-7-18(21)27-19-8-4-6-10-22(19)28;2-1(3,4)5/h3-13H,1-2H3,(H-,23,24,25,26);(H,2,3,4,5)