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

Systemtic Name: 5-bromanyl-2-ethyl-8-nitro-quinolin-1-ium; ethyl sulfate Openeye Name: 5-bromo-2-ethyl-8-nitro-quinolin-1-ium; ethyl sulfate CAS Name: 5-bromo-2-ethyl-8-nitroquinolin-1-ium; ethyl sulfate IUPAC Name: 5-bromo-2-ethyl-8-nitroquinolin-1-ium; ethyl sulfate Traditional Name: 5-bromo-2-ethyl-8-nitro-quinolin-1-ium; ethyl sulfate Formula: C13H15BrN2O6S MolecularWeight: 407.237

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[NH+]C2=C(C=CC(=C2C=C1)Br)[N+](=O)[O-].CCOS(=O)(=O)[O-]

Isomeric SMILES

CCC1=[NH+]C2=C(C=CC(=C2C=C1)Br)[N+](=O)[O-].CCOS(=O)(=O)[O-]

InChI

InChI=1S/C11H9BrN2O2.C2H6O4S/c1-2-7-3-4-8-9(12)5-6-10(14(15)16)11(8)13-7;1-2-6-7(3,4)5/h3-6H,2H2,1H3;2H2,1H3,(H,3,4,5)