[6-bromanyl-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-methyl-azanium chloride

Systemtic Name: [6-bromanyl-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-methyl-azanium chloride Openeye Name: [6-bromo-3-(hydroxymethyl)chroman-4-yl]-methyl-ammonium chloride CAS Name: [6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-methylammonium chloride IUPAC Name: [6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-methylazanium chloride Traditional Name: (6-bromo-3-methylol-chroman-4-yl)-methyl-ammonium chloride Formula: C11H15BrClNO2 MolecularWeight: 308.5993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1C(COC2=C1C=C(C=C2)Br)CO.[Cl-]

Isomeric SMILES

C[NH2+]C1C(COC2=C1C=C(C=C2)Br)CO.[Cl-]

InChI

InChI=1S/C11H14BrNO2.ClH/c1-13-11-7(5-14)6-15-10-3-2-8(12)4-9(10)11;/h2-4,7,11,13-14H,5-6H2,1H3;1H