2-chloranyl-5-methyl-indazolo[2,3-b]isoquinolin-6-ium; hydrogen sulfate

Systemtic Name: 2-chloranyl-5-methyl-indazolo[2,3-b]isoquinolin-6-ium; hydrogen sulfate Openeye Name: 2-chloro-5-methyl-indazolo[2,3-b]isoquinolin-6-ium; hydrogen sulfate CAS Name: 2-chloro-5-methylindazolo[2,3-b]isoquinolin-6-ium; hydrogen sulfate IUPAC Name: 2-chloro-5-methylindazolo[2,3-b]isoquinolin-6-ium; hydrogen sulfate Traditional Name: 2-chloro-5-methyl-indazol[2,3-b]isoquinolin-6-ium bisulfate Formula: C16H13ClN2O4S MolecularWeight: 364.80342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C3=CC4=CC=CC=C4C=[N+]31.OS(=O)(=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C3=CC4=CC=CC=C4C=[N+]31.OS(=O)(=O)[O-]

InChI

InChI=1S/C16H12ClN2.H2O4S/c1-18-15-7-6-13(17)9-14(15)16-8-11-4-2-3-5-12(11)10-19(16)18;1-5(2,3)4/h2-10H,1H3;(H2,1,2,3,4)/q+1;/p-1