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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC(=C(C(=C3)OC)OP(=O)(O)O)OC

Isomeric SMILES

CCC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC(=C(C(=C3)OC)OP(=O)(O)O)OC

InChI

InChI=1S/C22H24NO6P/c1-4-13-23-18(12-10-17-7-5-6-8-19(17)23)11-9-16-14-20(27-2)22(21(15-16)28-3)29-30(24,25)26/h5-12,14-15H,4,13H2,1-3H3,(H-,24,25,26)/p+1/b11-9+