N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]ethanamide perchlorate

Systemtic Name: N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]ethanamide perchlorate Openeye Name: 2-(2,6-diisopropyl-4-phenyl-pyridin-1-ium-1-yl)-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide perchlorate CAS Name: N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-2-[4-phenyl-2,6-di(propan-2-yl)-1-pyridin-1-iumyl]acetamide perchlorate IUPAC Name: N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]acetamide perchlorate Traditional Name: 2-(2,6-diisopropyl-4-phenyl-pyridin-1-ium-1-yl)-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide perchlorate Formula: C22H28ClN5O7S2 MolecularWeight: 574.07002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=[N+]1CC(=O)N=C2N(N=C(S2)S(=O)(=O)N)C)C(C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)C1=CC(=CC(=[N+]1CC(=O)N=C2N(N=C(S2)S(=O)(=O)N)C)C(C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H28N5O3S2.ClHO4/c1-14(2)18-11-17(16-9-7-6-8-10-16)12-19(15(3)4)27(18)13-20(28)24-21-26(5)25-22(31-21)32(23,29)30;2-1(3,4)5/h6-12,14-15H,13H2,1-5H3,(H2,23,29,30);(H,2,3,4,5)/q+1;/p-1