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

Systemtic Name: 3-[4-[(Z)-1-cyano-2-[7-(dimethylamino)-2-oxidanylidene-chromen-3-yl]ethenyl]quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(Z)-1-cyano-2-[7-(dimethylamino)-2-oxo-chromen-3-yl]vinyl]quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(Z)-1-cyano-2-[7-(dimethylamino)-2-oxo-1-benzopyran-3-yl]ethenyl]-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(Z)-1-cyano-2-[7-(dimethylamino)-2-oxochromen-3-yl]ethenyl]quinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(Z)-1-cyano-2-[7-(dimethylamino)-2-keto-chromen-3-yl]vinyl]quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C26H23N3O5S MolecularWeight: 489.54292

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=C(C#N)C3=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(\C#N)/C3=CC=[N+](C4=CC=CC=C34)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C26H23N3O5S/c1-28(2)21-9-8-18-14-19(26(30)34-25(18)16-21)15-20(17-27)22-10-12-29(11-5-13-35(31,32)33)24-7-4-3-6-23(22)24/h3-4,6-10,12,14-16H,5,11,13H2,1-2H3