(3S,4S,6S)-6-(phenylmethoxymethyl)piperidin-1-ium-3,4-diol

Systemtic Name: (3S,4S,6S)-6-(phenylmethoxymethyl)piperidin-1-ium-3,4-diol Openeye Name: (3S,4S,6S)-6-(benzyloxymethyl)piperidin-1-ium-3,4-diol CAS Name: (3S,4S,6S)-6-(phenylmethoxymethyl)piperidin-1-ium-3,4-diol IUPAC Name: (3S,4S,6S)-6-(phenylmethoxymethyl)piperidin-1-ium-3,4-diol Traditional Name: (3S,4S,6S)-6-(benzoxymethyl)piperidin-1-ium-3,4-diol Formula: C13H20NO3+ MolecularWeight: 238.3028

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC(C1O)O)COCC2=CC=CC=C2

Isomeric SMILES

C1[C@H]([NH2+]C[C@@H]([C@H]1O)O)COCC2=CC=CC=C2

InChI

InChI=1S/C13H19NO3/c15-12-6-11(14-7-13(12)16)9-17-8-10-4-2-1-3-5-10/h1-5,11-16H,6-9H2/p+1/t11-,12-,13-/m0/s1