N-(5-chloranyl-1-phenyl-pyridazin-1-ium-3-yl)-4-methyl-benzenesulfonamide perchlorate

Systemtic Name: N-(5-chloranyl-1-phenyl-pyridazin-1-ium-3-yl)-4-methyl-benzenesulfonamide perchlorate Openeye Name: N-(5-chloro-1-phenyl-pyridazin-1-ium-3-yl)-4-methyl-benzenesulfonamide perchlorate CAS Name: N-(5-chloro-1-phenyl-3-pyridazin-1-iumyl)-4-methylbenzenesulfonamide perchlorate IUPAC Name: N-(5-chloro-1-phenylpyridazin-1-ium-3-yl)-4-methylbenzenesulfonamide perchlorate Traditional Name: N-(5-chloro-1-phenyl-pyridazin-1-ium-3-yl)-4-methyl-benzenesulfonamide perchlorate Formula: C17H15Cl2N3O6S MolecularWeight: 460.2885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=N[N+](=CC(=C2)Cl)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=N[N+](=CC(=C2)Cl)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H15ClN3O2S.ClHO4/c1-13-7-9-16(10-8-13)24(22,23)20-17-11-14(18)12-21(19-17)15-5-3-2-4-6-15;2-1(3,4)5/h2-12H,1H3,(H,19,20);(H,2,3,4,5)/q+1;/p-1