7-(diethylamino)-3-[(E)-2-(6-methylquinolin-1-ium-1-yl)ethenyl]chromen-2-one bromide

Systemtic Name: 7-(diethylamino)-3-[(E)-2-(6-methylquinolin-1-ium-1-yl)ethenyl]chromen-2-one bromide Openeye Name: 7-(diethylamino)-3-[(E)-2-(6-methylquinolin-1-ium-1-yl)vinyl]chromen-2-one bromide CAS Name: 7-(diethylamino)-3-[(E)-2-(6-methyl-1-quinolin-1-iumyl)ethenyl]-1-benzopyran-2-one bromide IUPAC Name: 7-(diethylamino)-3-[(E)-2-(6-methylquinolin-1-ium-1-yl)ethenyl]chromen-2-one bromide Traditional Name: 7-(diethylamino)-3-[(E)-2-(6-methylquinolin-1-ium-1-yl)vinyl]coumarin bromide Formula: C25H25BrN2O2 MolecularWeight: 465.3822

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C=C[N+]3=CC=CC4=C3C=CC(=C4)C.[Br-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)/C=C/[N+]3=CC=CC4=C3C=CC(=C4)C.[Br-]

InChI

InChI=1S/C25H25N2O2.BrH/c1-4-26(5-2)22-10-9-20-16-21(25(28)29-24(20)17-22)12-14-27-13-6-7-19-15-18(3)8-11-23(19)27;/h6-17H,4-5H2,1-3H3;1H/q+1;/p-1/b14-12+;