6-bromanyl-3,7-dimethyl-3-piperidin-1-ium-1-yl-2H-chromen-4-one bromide

Systemtic Name: 6-bromanyl-3,7-dimethyl-3-piperidin-1-ium-1-yl-2H-chromen-4-one bromide Openeye Name: 6-bromo-3,7-dimethyl-3-piperidin-1-ium-1-yl-chroman-4-one bromide CAS Name: 6-bromo-3,7-dimethyl-3-(1-piperidin-1-iumyl)-3,4-dihydro-2H-1-benzopyran-4-one bromide IUPAC Name: 6-bromo-3,7-dimethyl-3-piperidin-1-ium-1-yl-2H-chromen-4-one bromide Traditional Name: 6-bromo-3,7-dimethyl-3-piperidin-1-ium-1-yl-chroman-4-one bromide Formula: C16H21Br2NO2 MolecularWeight: 419.15144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OCC(C2=O)(C)[NH+]3CCCCC3)Br.[Br-]

Isomeric SMILES

CC1=C(C=C2C(=C1)OCC(C2=O)(C)[NH+]3CCCCC3)Br.[Br-]

InChI

InChI=1S/C16H20BrNO2.BrH/c1-11-8-14-12(9-13(11)17)15(19)16(2,10-20-14)18-6-4-3-5-7-18;/h8-9H,3-7,10H2,1-2H3;1H