(2R,3S)-2-(hydroxymethyl)-5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]oxolan-3-ol

Systemtic Name: (2R,3S)-2-(hydroxymethyl)-5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]oxolan-3-ol Openeye Name: (2R,3S)-2-(hydroxymethyl)-5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]tetrahydrofuran-3-ol CAS Name: (2R,3S)-2-(hydroxymethyl)-5-[4-(1-methyl-4-pyridin-1-iumyl)phenyl]-3-oxolanol IUPAC Name: (2R,3S)-2-(hydroxymethyl)-5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]oxolan-3-ol Traditional Name: (2R,3S)-2-methylol-5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]tetrahydrofuran-3-ol Formula: C17H20NO3+ MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(C(O3)CO)O

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)C3C[C@@H]([C@H](O3)CO)O

InChI

InChI=1S/C17H20NO3/c1-18-8-6-13(7-9-18)12-2-4-14(5-3-12)16-10-15(20)17(11-19)21-16/h2-9,15-17,19-20H,10-11H2,1H3/q+1/t15-,16?,17+/m0/s1