[2,6-dimethoxy-4-[(E)-2-(1-propylquinolin-1-ium-4-yl)ethenyl]phenyl] dihydrogen phosphate

Systemtic Name: [2,6-dimethoxy-4-[(E)-2-(1-propylquinolin-1-ium-4-yl)ethenyl]phenyl] dihydrogen phosphate Openeye Name: [2,6-dimethoxy-4-[(E)-2-(1-propylquinolin-1-ium-4-yl)vinyl]phenyl] dihydrogen phosphate CAS Name: [2,6-dimethoxy-4-[(E)-2-(1-propyl-4-quinolin-1-iumyl)ethenyl]phenyl] dihydrogen phosphate IUPAC Name: [2,6-dimethoxy-4-[(E)-2-(1-propylquinolin-1-ium-4-yl)ethenyl]phenyl] dihydrogen phosphate Traditional Name: [2,6-dimethoxy-4-[(E)-2-(1-propylquinolin-1-ium-4-yl)vinyl]phenyl] dihydrogen phosphate Formula: C22H25NO6P+ MolecularWeight: 430.410761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC(=C(C(=C3)OC)OP(=O)(O)O)OC

Isomeric SMILES

CCC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC(=C(C(=C3)OC)OP(=O)(O)O)OC

InChI

InChI=1S/C22H24NO6P/c1-4-12-23-13-11-17(18-7-5-6-8-19(18)23)10-9-16-14-20(27-2)22(21(15-16)28-3)29-30(24,25)26/h5-11,13-15H,4,12H2,1-3H3,(H-,24,25,26)/p+1/b10-9+