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

Systemtic Name: 3-[4-[(E)-2-[7-(dimethylamino)-2-oxidanylidene-chromen-3-yl]ethenyl]quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(E)-2-[7-(dimethylamino)-2-oxo-chromen-3-yl]vinyl]quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(E)-2-[7-(dimethylamino)-2-oxo-1-benzopyran-3-yl]ethenyl]-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(E)-2-[7-(dimethylamino)-2-oxochromen-3-yl]ethenyl]quinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(E)-2-[7-(dimethylamino)-2-keto-chromen-3-yl]vinyl]quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C25H24N2O5S MolecularWeight: 464.53346

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=CC=[N+](C4=CC=CC=C34)CCCS(=O)(=O)[O-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C=C(C(=O)O2)/C=C/C3=CC=[N+](C4=CC=CC=C34)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C25H24N2O5S/c1-26(2)21-11-10-19-16-20(25(28)32-24(19)17-21)9-8-18-12-14-27(13-5-15-33(29,30)31)23-7-4-3-6-22(18)23/h3-4,6-12,14,16-17H,5,13,15H2,1-2H3