5-bromanyl-2-methyl-8-nitro-quinolin-1-ium; methyl sulfate

Systemtic Name: 5-bromanyl-2-methyl-8-nitro-quinolin-1-ium; methyl sulfate Openeye Name: 5-bromo-2-methyl-8-nitro-quinolin-1-ium; methyl sulfate CAS Name: 5-bromo-2-methyl-8-nitroquinolin-1-ium; methyl sulfate IUPAC Name: 5-bromo-2-methyl-8-nitroquinolin-1-ium; methyl sulfate Traditional Name: 5-bromo-2-methyl-8-nitro-quinolin-1-ium; methyl sulfate Formula: C11H11BrN2O6S MolecularWeight: 379.18384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=CC(=C2C=C1)Br)[N+](=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CC1=[NH+]C2=C(C=CC(=C2C=C1)Br)[N+](=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C10H7BrN2O2.CH4O4S/c1-6-2-3-7-8(11)4-5-9(13(14)15)10(7)12-6;1-5-6(2,3)4/h2-5H,1H3;1H3,(H,2,3,4)