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

Systemtic Name: [(3S,4R)-6-bromanyl-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-methyl-azanium Openeye Name: [(3S,4R)-6-bromo-3-(hydroxymethyl)chroman-4-yl]-methyl-ammonium CAS Name: [(3S,4R)-6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-methylammonium IUPAC Name: [(3S,4R)-6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-methylazanium Traditional Name: [(3S,4R)-6-bromo-3-methylol-chroman-4-yl]-methyl-ammonium Formula: C11H15BrNO2+ MolecularWeight: 273.1463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH2+][C@@H]1[C@H](COC2=C1C=C(C=C2)Br)CO

InChI

InChI=1S/C11H14BrNO2/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/p+1/t7-,11+/m0/s1