N-[3-[ethanoyl(methyl)amino]-4-thianthren-5-ium-5-yl-phenyl]ethanamide perchlorate

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

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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)N(C)C(=O)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

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