6-methoxy-1-oxidanidyl-quinolin-1-ium dihydrate

Systemtic Name: 6-methoxy-1-oxidanidyl-quinolin-1-ium dihydrate Openeye Name: 6-methoxy-1-oxido-quinolin-1-ium dihydrate CAS Name: 6-methoxy-1-oxidoquinolin-1-ium dihydrate IUPAC Name: 6-methoxy-1-oxidoquinolin-1-ium dihydrate Traditional Name: 6-methoxy-1-oxido-quinolin-1-ium dihydrate Formula: C10H13NO4 MolecularWeight: 211.21452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=CC=C2)[O-].O.O

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=CC=C2)[O-].O.O

InChI

InChI=1S/C10H9NO2.2H2O/c1-13-9-4-5-10-8(7-9)3-2-6-11(10)12;;/h2-7H,1H3;2*1H2