2-bromanyl-4-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 2-bromanyl-4-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-bromo-4-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-bromo-4-[[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-bromo-4-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-bromo-6-methoxy-4-[[(3S)-3-methylolpiperidin-1-ium-1-yl]methyl]phenol Formula: C14H21BrNO3+ MolecularWeight: 331.22544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCCC(C2)CO)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCC[C@@H](C2)CO)Br)O

InChI

InChI=1S/C14H20BrNO3/c1-19-13-6-11(5-12(15)14(13)18)8-16-4-2-3-10(7-16)9-17/h5-6,10,17-18H,2-4,7-9H2,1H3/p+1/t10-/m0/s1