4-bromanyl-2-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[(3S)-3-methylolpiperidin-1-ium-1-yl]methyl]phenol Formula: C13H19BrNO2+ MolecularWeight: 301.19946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC(=C2)Br)O)CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=CC(=C2)Br)O)CO

InChI

InChI=1S/C13H18BrNO2/c14-12-3-4-13(17)11(6-12)8-15-5-1-2-10(7-15)9-16/h3-4,6,10,16-17H,1-2,5,7-9H2/p+1/t10-/m0/s1