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

Systemtic Name: N-(4,5-dimethyl-2-thianthren-5-ium-5-yl-phenyl)ethanamide perchlorate Openeye Name: N-(4,5-dimethyl-2-thianthren-5-ium-5-yl-phenyl)acetamide perchlorate CAS Name: N-[4,5-dimethyl-2-(5-thianthren-5-iumyl)phenyl]acetamide perchlorate IUPAC Name: N-(4,5-dimethyl-2-thianthren-5-ium-5-ylphenyl)acetamide perchlorate Traditional Name: N-(4,5-dimethyl-2-thianthren-5-ium-5-yl-phenyl)acetamide perchlorate Formula: C22H20ClNO5S2 MolecularWeight: 477.9809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=C(C=C1C)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H19NOS2.ClHO4/c1-14-12-17(23-16(3)24)22(13-15(14)2)26-20-10-6-4-8-18(20)25-19-9-5-7-11-21(19)26;2-1(3,4)5/h4-13H,1-3H3;(H,2,3,4,5)