N-(3-acetamido-2-methyl-4-thianthren-5-ium-5-yl-phenyl)ethanamide perchlorate

Systemtic Name: N-(3-acetamido-2-methyl-4-thianthren-5-ium-5-yl-phenyl)ethanamide perchlorate Openeye Name: N-(3-acetamido-2-methyl-4-thianthren-5-ium-5-yl-phenyl)acetamide perchlorate CAS Name: N-[3-acetamido-2-methyl-4-(5-thianthren-5-iumyl)phenyl]acetamide perchlorate IUPAC Name: N-(3-acetamido-2-methyl-4-thianthren-5-ium-5-ylphenyl)acetamide perchlorate Traditional Name: N-(3-acetamido-2-methyl-4-thianthren-5-ium-5-yl-phenyl)acetamide perchlorate Formula: C23H21ClN2O6S2 MolecularWeight: 521.00564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1NC(=O)C)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C(C=CC(=C1NC(=O)C)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C23H20N2O2S2.ClHO4/c1-14-17(24-15(2)26)12-13-22(23(14)25-16(3)27)29-20-10-6-4-8-18(20)28-19-9-5-7-11-21(19)29;2-1(3,4)5/h4-13H,1-3H3,(H-,24,25,26,27);(H,2,3,4,5)