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

Systemtic Name: N-(4,5-dimethyl-2-thianthren-5-ium-5-yl-phenyl)-N-methyl-ethanamide perchlorate Openeye Name: N-(4,5-dimethyl-2-thianthren-5-ium-5-yl-phenyl)-N-methyl-acetamide perchlorate CAS Name: N-[4,5-dimethyl-2-(5-thianthren-5-iumyl)phenyl]-N-methylacetamide perchlorate IUPAC Name: N-(4,5-dimethyl-2-thianthren-5-ium-5-ylphenyl)-N-methylacetamide perchlorate Traditional Name: N-(4,5-dimethyl-2-thianthren-5-ium-5-yl-phenyl)-N-methyl-acetamide perchlorate Formula: C23H22ClNO5S2 MolecularWeight: 492.00748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22NOS2.ClHO4/c1-15-13-18(24(4)17(3)25)23(14-16(15)2)27-21-11-7-5-9-19(21)26-20-10-6-8-12-22(20)27;2-1(3,4)5/h5-14H,1-4H3;(H,2,3,4,5)/q+1;/p-1