2-[1-(phenylmethyl)pyridin-1-ium-4-yl]-2,3-dihydrochromen-4-one bromide

Systemtic Name: 2-[1-(phenylmethyl)pyridin-1-ium-4-yl]-2,3-dihydrochromen-4-one bromide Openeye Name: 2-(1-benzylpyridin-1-ium-4-yl)chroman-4-one bromide CAS Name: 2-[1-(phenylmethyl)-4-pyridin-1-iumyl]-3,4-dihydro-2H-1-benzopyran-4-one bromide IUPAC Name: 2-(1-benzylpyridin-1-ium-4-yl)-2,3-dihydrochromen-4-one bromide Traditional Name: 2-(1-benzylpyridin-1-ium-4-yl)chroman-4-one bromide Formula: C21H18BrNO2 MolecularWeight: 396.27712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C1=O)C3=CC=[N+](C=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1C(OC2=CC=CC=C2C1=O)C3=CC=[N+](C=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H18NO2.BrH/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16;/h1-13,21H,14-15H2;1H/q+1;/p-1