N-methyl-5-[[4-[6-(2-methylpyridin-1-ium-1-yl)oxyhexylsulfamoyl]phenyl]diazenyl]-3-oxidanyl-2-phenyl-1H-pyrazole-5-carboxamide perchlorate

Systemtic Name: N-methyl-5-[[4-[6-(2-methylpyridin-1-ium-1-yl)oxyhexylsulfamoyl]phenyl]diazenyl]-3-oxidanyl-2-phenyl-1H-pyrazole-5-carboxamide perchlorate Openeye Name: 3-hydroxy-N-methyl-5-[4-[6-(2-methylpyridin-1-ium-1-yl)oxyhexylsulfamoyl]phenyl]azo-2-phenyl-1H-pyrazole-5-carboxamide perchlorate CAS Name: 3-hydroxy-N-methyl-5-[4-[6-[(2-methyl-1-pyridin-1-iumyl)oxy]hexylsulfamoyl]phenyl]azo-2-phenyl-1H-pyrazole-5-carboxamide perchlorate IUPAC Name: 3-hydroxy-N-methyl-5-[[4-[6-(2-methylpyridin-1-ium-1-yl)oxyhexylsulfamoyl]phenyl]diazenyl]-2-phenyl-1H-pyrazole-5-carboxamide perchlorate Traditional Name: 5-hydroxy-N-methyl-3-[4-[6-(2-methylpyridin-1-ium-1-yl)oxyhexylsulfamoyl]phenyl]azo-1-phenyl-3-pyrazoline-3-carboxamide perchlorate Formula: C29H36ClN7O9S MolecularWeight: 694.15564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1OCCCCCCNS(=O)(=O)C2=CC=C(C=C2)N=NC3(C=C(N(N3)C4=CC=CC=C4)O)C(=O)NC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=CC=[N+]1OCCCCCCNS(=O)(=O)C2=CC=C(C=C2)N=NC3(C=C(N(N3)C4=CC=CC=C4)O)C(=O)NC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C29H35N7O5S.ClHO4/c1-23-12-8-10-20-35(23)41-21-11-4-3-9-19-31-42(39,40)26-17-15-24(16-18-26)32-33-29(28(38)30-2)22-27(37)36(34-29)25-13-6-5-7-14-25;2-1(3,4)5/h5-8,10,12-18,20,22,31,34H,3-4,9,11,19,21H2,1-2H3,(H-,30,37,38);(H,2,3,4,5)