3-[4-[(E)-2-[7-(dimethylamino)-2-oxidanylidene-chromen-3-yl]ethenyl]-8-oxidanyl-quinolin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[(E)-2-[7-(dimethylamino)-2-oxidanylidene-chromen-3-yl]ethenyl]-8-oxidanyl-quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(E)-2-[7-(dimethylamino)-2-oxo-chromen-3-yl]vinyl]-8-hydroxy-quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(E)-2-[7-(dimethylamino)-2-oxo-1-benzopyran-3-yl]ethenyl]-8-hydroxy-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(E)-2-[7-(dimethylamino)-2-oxochromen-3-yl]ethenyl]-8-hydroxyquinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(E)-2-[7-(dimethylamino)-2-keto-chromen-3-yl]vinyl]-8-hydroxy-quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C25H24N2O6S MolecularWeight: 480.53286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C=C(C(=O)O2)C=CC3=C4C=CC=C(C4=[N+](C=C3)CCCS(=O)(=O)[O-])O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C=C(C(=O)O2)/C=C/C3=C4C=CC=C(C4=[N+](C=C3)CCCS(=O)(=O)[O-])O

InChI

InChI=1S/C25H24N2O6S/c1-26(2)20-10-9-18-15-19(25(29)33-23(18)16-20)8-7-17-11-13-27(12-4-14-34(30,31)32)24-21(17)5-3-6-22(24)28/h3,5-11,13,15-16H,4,12,14H2,1-2H3,(H-,28,30,31,32)