4-azido-1-methoxy-quinolin-1-ium; methyl hydrogen sulfate

Systemtic Name: 4-azido-1-methoxy-quinolin-1-ium; methyl hydrogen sulfate Openeye Name: 4-azido-1-methoxy-quinolin-1-ium; methyl hydrogen sulfate CAS Name: 4-azido-1-methoxyquinolin-1-ium; sulfuric acid methyl ester IUPAC Name: 4-azido-1-methoxyquinolin-1-ium; methyl hydrogen sulfate Traditional Name: 4-azido-1-methoxy-quinolin-1-ium; sulfuric acid methyl ester Formula: C11H13N4O5S+ MolecularWeight: 313.30972

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1=CC=C(C2=CC=CC=C21)N=[N+]=[N-].COS(=O)(=O)O

Isomeric SMILES

CO[N+]1=CC=C(C2=CC=CC=C21)N=[N+]=[N-].COS(=O)(=O)O

InChI

InChI=1S/C10H9N4O.CH4O4S/c1-15-14-7-6-9(12-13-11)8-4-2-3-5-10(8)14;1-5-6(2,3)4/h2-7H,1H3;1H3,(H,2,3,4)/q+1;