7-(diethylamino)-3-[(E)-2-pyridin-1-ium-1-ylethenyl]chromen-2-one bromide

Systemtic Name: 7-(diethylamino)-3-[(E)-2-pyridin-1-ium-1-ylethenyl]chromen-2-one bromide Openeye Name: 7-(diethylamino)-3-[(E)-2-pyridin-1-ium-1-ylvinyl]chromen-2-one bromide CAS Name: 7-(diethylamino)-3-[(E)-2-(1-pyridin-1-iumyl)ethenyl]-1-benzopyran-2-one bromide IUPAC Name: 7-(diethylamino)-3-[(E)-2-pyridin-1-ium-1-ylethenyl]chromen-2-one bromide Traditional Name: 7-(diethylamino)-3-[(E)-2-pyridin-1-ium-1-ylvinyl]coumarin bromide Formula: C20H21BrN2O2 MolecularWeight: 401.29694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C=C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)/C=C/[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H21N2O2.BrH/c1-3-22(4-2)18-9-8-16-14-17(20(23)24-19(16)15-18)10-13-21-11-6-5-7-12-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1/b13-10+;